SCHEMBL11023967

SCHEMBL11023967

CC(=O)SCC1CCCCCN(C(C)C(=O)O)C1=O

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.90
XIAP P98170 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11026370 0.86 ACE (0.68) ACE
SCHEMBL11025701 0.82 ACE (0.61) ACEXIAP
SCHEMBL11023988 0.81 ACE (0.60) ACE
SCHEMBL10952228 0.80 ACE (0.61) ACE
SCHEMBL11025138 0.76 ACE (0.90) ACE
SCHEMBL10956427 0.75 ACE (0.92) ACE
SCHEMBL11023970 0.74 ACE (0.68) ACE
SCHEMBL10896677 0.74 ACE (0.50) ACEXIAP
SCHEMBL10915073 0.74 ACE (0.50) ACEXIAP
SCHEMBL10793023 0.72 ACE (0.51) ACEXIAP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049842-B1 SUBSTITUTED ENANTHOLACTAM DERIVATIVES, A PROCESS FOR THE PREPARATION AND A PHARMACEUTICAL COMPOSITION USEFUL IN THE TREATMENT OF HYPERTENSION COMPRISING THE SAME, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-08-28 EP disclosed
US-4396616-A DIURETICS, ENZYME INHIBITORS MERCK & CO., INC. (US) 1983-08-02 US disclosed
EP-0049842-A2 Substituted enantholactam derivatives, a process for the preparation and a pharmaceutical composition useful in the treatment of hypertension comprising the same, and intermediates MERCK & CO. INC. (US) 1982-04-21 EP disclosed