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SCHEMBL7091175

SCHEMBL7091175

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Oc3cccc(-c4n[nH]c(=O)[nH]4)c3)C2=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.46
▸ FPR2 P25090 2/20 0.35
▸ MCHR1 Q99705 5/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ FPR1 P21462 1/20 0.33

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
SCHEMBL4680548 0.83 F10 (0.69) F10FPR2FPR1
SCHEMBL7090495 0.83 F10 (0.46) F10FPR2ROCK2ROCK1FPR1
SCHEMBL6983572 0.83 F10 (0.48) F10FPR2MCHR1
SCHEMBL7088807 0.82 F10 (0.53) F10
SCHEMBL6988835 0.81 F10 (0.47) F10FPR2MCHR1
SCHEMBL6984298 0.77 F10 (0.51) F10FPR2MCHR1FPR1
SCHEMBL6985639 0.76 F10 (0.52) F10FPR2MCHR1FPR1
SCHEMBL28704466 0.75 F10 (0.43) F10FPR2FPR1
SCHEMBL6981553 0.74 F10 (0.52) F10FPR2MCHR1FPR1
SCHEMBL6984447 0.74 F10 (0.43) F10FPR2MCHR1FPR1

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 disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 — — WO disclosed