SCHEMBL7400330

SCHEMBL7400330

CC(=O)N1c2ccccc2C2(CCNCC2)C1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 19/20 0.48
OPRM1 P35372 1/20 0.48
ACE P12821 1/20 0.44

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
SCHEMBL7399209 0.88 GHSR (0.47) GHSROPRM1ACE
SCHEMBL7401537 0.86 GHSR (0.45) GHSROPRM1ACE
SCHEMBL9395015 0.83 GHSR (0.52) GHSROPRM1ACE
SCHEMBL9391064 0.81 GHSR (0.50) GHSROPRM1ACE
SCHEMBL7403198 0.80 GHSR (0.47) GHSROPRM1ACE
SCHEMBL5615834 0.78 GHSR (0.51) GHSROPRM1ACE
SCHEMBL5666463 0.78 GHSR (0.51) GHSROPRM1ACE
SCHEMBL9391345 0.78 GHSR (0.51) GHSROPRM1ACE
SCHEMBL8343694 0.78 TACR1 (0.59)
SCHEMBL9389891 0.77 GHSR (0.46) GHSROPRM1ACE

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
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 WO claimed
EP-0820464-A2 CYSTEINE PROTEASE INHIBITOR Takeda Chemical Industries, Ltd. (JP) 1998-01-28 EP disclosed
WO-1996030395-A2 CYSTEINE PROTEASE INHIBITOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-03 WO disclosed