SCHEMBL9544288

SCHEMBL9544288

CC(O)C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
CMA1 P23946 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ACE P12821 2/20 0.39
ATM Q13315 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL9545331 0.92 APP (0.40) CXCR3OPRM1OPRD1OPRK1FNTA
SCHEMBL9544383 0.90 FNTA (0.46) CMA1FNTAFNTBHDAC8
SCHEMBL9544378 0.90 FNTA (0.46) CMA1FNTAFNTBHDAC8
SCHEMBL9544910 0.87 HDAC3 (0.48) CXCR3OPRM1OPRD1OPRK1ACE
SCHEMBL9544919 0.87 HDAC3 (0.48) CXCR3OPRM1OPRD1OPRK1ACE
SCHEMBL9545046 0.87 FNTA (0.41) CXCR3OPRM1OPRD1OPRK1CMA1
SCHEMBL9545049 0.87 FNTA (0.41) CXCR3OPRM1OPRD1OPRK1CMA1
SCHEMBL9544889 0.86 ACE (0.52) CXCR3ACEHDAC8
SCHEMBL9543958 0.85 ELANE (0.43) CMA1ATM
SCHEMBL9545323 0.84 CXCR3 (0.41) CXCR3OPRM1OPRD1OPRK1CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed