SCHEMBL4880126

SCHEMBL4880126

CCCOc1ccc(C(O)C[C@@H](CC=O)Cc2ccc(-c3c[nH]c(CC(C)(C)C)n3)cc2)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
CSNK2A1 P68400 2/20 0.32
TRPV3 Q8NET8 1/20 0.31
GCGR P47871 1/20 0.30
GIPR P48546 1/20 0.30

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
SCHEMBL4839632 0.74 CSNK2A1 (0.32) CSNK2A1TRPV3
SCHEMBL4776899 0.74 MEN1 (0.37) CSNK2A1TRPV3GCGRGIPR
SCHEMBL5569939 0.70 CSNK2A1 (0.33) FAAHCSNK2A1TRPV3GCGRGIPR
SCHEMBL4718876 0.67 CENPE (0.36) GCGRGIPR
SCHEMBL4717681 0.65 CENPE (0.36) GCGRGIPR
SCHEMBL2617238 0.64 TAS1R3 (0.43) GCGRGIPR
SCHEMBL4722601 0.63 GCGR (0.43) CSNK2A1GCGRGIPR
SCHEMBL5569669 0.63 CSNK2A1 (0.57) CSNK2A1
SCHEMBL5568781 0.59 S1PR1 (0.34) CSNK2A1
SCHEMBL13637058 0.58 TAS1R3 (0.43) CSNK2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed