SCHEMBL7971636

SCHEMBL7971636

Cc1ccc(CC(c2cnc[nH]2)N2CCOc3c(C(=O)O)cccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.38
CPB2 Q96IY4 7/20 0.35
CPB1 P15086 2/20 0.32
CYP19A1 P11511 1/20 0.32
BRS3 P32247 1/20 0.31
FABP4 P15090 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA1A P35348 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7968421 0.91 CPA1 (0.40) CPA1CPB2CPB1SMN1; SMN2
SCHEMBL7971099 0.91 CPA1 (0.38) CPA1CPB2CPB1BRS3ADRA2A
SCHEMBL7972160 0.85 ITGA4 (0.38)
SCHEMBL7974145 0.84 CPA1 (0.36) CPA1CPB2CPB1CYP19A1BRS3
SCHEMBL7971730 0.83 CPA1 (0.37) CPA1CPB2CPB1CYP19A1BRS3
SCHEMBL7971115 0.77 CPA1 (0.36) CPA1CPB2CPB1
SCHEMBL7967524 0.74 CPA1 (0.37) CPA1CPB2CPB1BRS3
SCHEMBL7971542 0.74 CPA1 (0.39) CPA1CPB2CPB1BRS3
SCHEMBL8152940 0.69 FNTA (0.48)
SCHEMBL7971638 0.68 FNTA (0.47) FABP4

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