SCHEMBL6985111

SCHEMBL6985111

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(NC(=O)c3ccc(Cl)nc3)C2=O)c1F

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.49
FPR2 P25090 18/20 0.47
FPR1 P21462 15/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL6987862 0.90 F10 (0.54) F10FPR2FPR1
SCHEMBL6988832 0.88 FPR2 (0.49) F10FPR2FPR1
SCHEMBL6981073 0.88 F10 (0.56) F10FPR2FPR1
SCHEMBL7090057 0.86 F10 (0.46) F10FPR2FPR1ALDH1A1
SCHEMBL6985267 0.86 FPR2 (0.55) F10FPR2FPR1
SCHEMBL6988559 0.82 FPR2 (0.50) F10FPR2FPR1
SCHEMBL4683741 0.81 F10 (0.74) F10FPR2FPR1
SCHEMBL7139450 0.81 FPR2 (0.55) F10FPR2FPR1
SCHEMBL28381115 0.80 F10 (0.48) F10FPR2FPR1
SCHEMBL28382471 0.80 FPR2 (0.67) FPR2FPR1

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed