SCHEMBL6989708

SCHEMBL6989708

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(c3ccccc3S(N)(=O)=O)C2=O)c1F

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.42
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 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
SCHEMBL6986859 0.83 F10 (0.41) F10FPR1FPR2
SCHEMBL28703156 0.82 F10 (0.42) F10FPR1FPR2
SCHEMBL4683935 0.80 F10 (0.63) F10FPR1FPR2
SCHEMBL6988783 0.78 F10 (0.41) F10
SCHEMBL27613671 0.78 FPR1 (0.39) F10FPR1FPR2
SCHEMBL6983752 0.78 F10 (0.40) F10FPR1FPR2
SCHEMBL28704466 0.77 F10 (0.43) F10FPR1FPR2
SCHEMBL6989712 0.76 F10 (0.65) F10
SCHEMBL6986892 0.73 F10 (0.65) F10
SCHEMBL28381115 0.73 F10 (0.48) F10FPR1FPR2

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