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11 August 2017

Heptares is a Drug Discovery Company working on G protein-coupled receptors (GPCRs) involved in CNS, immune-inflammatory and rare diseases. Our unique structure-based approach in discovering therapeutic agents for these diseases relies on a proprietary technology to stabilise GPCRs, enabling their purification for structural and biophysical studies.  The company is currently based in Welwyn Garden City and will be relocating to the Cambridge area in mid-2018.

We are seeking an experienced Cheminformatician to join the computational chemistry group driving our drug discovery efforts.

Our preferred candidate will have the following profile:
  • Applicants should have at least a degree in chemistry, biochemistry, pharmacology, computer science or a related discipline, and be proficient in SQL and Python within a Linux environment. 
  • Experience in maintaining databases of chemical and pharmacological information and developing web-based computational tools to support drug discovery activities. 
  • Data mining experience and ability to interrogate, interpret, and visualize chemical, biological and toxicological data.
  • Experience of working with medicinal chemistry and pharmacology data and a good understanding of medicinal organic chemistry, pharmacokinetics and metabolism in the context of drug discovery is desirable. 
  • Experience with cheminformatic tools/toolkits is desirable, including for example Pipeline Pilot, Dotmatics, RDkit and the application of machine learning methodologies. 
  • Strong, written, oral communication and influencing skills.
  • Self-starter with a high level of independence.

The successful candidate will work with our computational chemistry, chemistry and pharmacology teams, and,
  • Ensure the curation and administration of Heptares’ Databases and web based front end workflow solutions are maintained at all times.
  • Develop flexible computational tools to assist experimental drug discovery efforts.
  • Assist in the evaluation of new computational approaches to drug discovery.
  • Apply data mining and cheminformatics tools to collate, interrogate, interpret, and visualize complex, toxicological and ADME-related data.
  • Contribute to drug discovery projects facilitating superior drug design and candidate selection through the application of cheminformatics strategies.

This is an exceptional opportunity to participate in pioneering science with an Industry-leading Drug Discovery company.

We offer a competitive salary and benefits package commensurate with qualifications and experience.  

Heptares is an equal opportunities employer.

Applicants must be able to demonstrate proof of the right to work in the United Kingdom.

Further information can be found on our website ( Applications should include a covering letter with curriculum vitae including the names and contact details for two referees. Please send your application in pdf format, to  quoting reference number 2017/4BMS. The closing date for applications is 11th September 2017.

Strictly no agencies.