SCHEMBL7974145

SCHEMBL7974145

Cc1ccc(CC(c2cnc[nH]2)N2CC(C)(C)Oc3c(C(=O)O)cccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.36
CPB2 Q96IY4 6/20 0.36
CYP19A1 P11511 1/20 0.32
FABP4 P15090 1/20 0.32
CPB1 P15086 2/20 0.32
MC4R P32245 1/20 0.31
MC1R Q01726 1/20 0.31
TACR2 P21452 1/20 0.30
BRS3 P32247 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
SCHEMBL7971115 0.92 CPA1 (0.36) CPA1CPB2CPB1
SCHEMBL7971636 0.84 CPA1 (0.38) CPA1CPB2CYP19A1FABP4CPB1
SCHEMBL7971730 0.78 CPA1 (0.37) CPA1CPB2CYP19A1FABP4CPB1
SCHEMBL7971099 0.76 CPA1 (0.38) CPA1CPB2CPB1BRS3
SCHEMBL7972160 0.71 ITGA4 (0.38)
SCHEMBL7967524 0.70 CPA1 (0.37) CPA1CPB2CPB1BRS3
SCHEMBL7971542 0.70 CPA1 (0.39) CPA1CPB2CPB1BRS3
SCHEMBL7974147 0.69 FNTA (0.42) FABP4
SCHEMBL7969211 0.66 CPA1 (0.42) CPA1CPB2CYP19A1CPB1BRS3
SCHEMBL8152940 0.66 FNTA (0.48)

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-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed