SCHEMBL9545327

SCHEMBL9545327

C[C@@H](OC(=O)c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 8/20 0.41
ATM Q13315 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
CMA1 P23946 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL9545323 1.00 CXCR3 (0.41) CXCR3ATMOPRM1OPRD1OPRK1
SCHEMBL9545049 0.89 FNTA (0.41) CXCR3ATMOPRM1OPRD1OPRK1
SCHEMBL9545046 0.89 FNTA (0.41) CXCR3ATMOPRM1OPRD1OPRK1
SCHEMBL9544378 0.88 FNTA (0.46) CMA1FNTAFNTBHDAC8
SCHEMBL9544383 0.88 FNTA (0.46) CMA1FNTAFNTBHDAC8
SCHEMBL9544282 0.85 KMT2A (0.43) CXCR3ATMOPRM1OPRD1OPRK1
SCHEMBL9544283 0.85 KMT2A (0.43) CXCR3ATMOPRM1OPRD1OPRK1
SCHEMBL9544919 0.85 HDAC3 (0.48) CXCR3OPRM1OPRD1OPRK1HDAC8
SCHEMBL9544910 0.85 HDAC3 (0.48) CXCR3OPRM1OPRD1OPRK1HDAC8
SCHEMBL9544288 0.84 CXCR3 (0.41) CXCR3ATMOPRM1OPRD1OPRK1

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