SCHEMBL7090495

SCHEMBL7090495

CS(=O)(=O)c1c(-c2ccccc2)ccc(N2CCCC(Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)C2=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.46
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 1/20 0.40
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL7088807 0.88 F10 (0.53) F10
SCHEMBL4679792 0.83 F10 (0.68) F10FPR1FPR2
SCHEMBL7091175 0.83 F10 (0.46) F10ROCK2ROCK1FPR1FPR2
SCHEMBL6984323 0.83 F10 (0.48) F10ROCK2FPR1FPR2
SCHEMBL6984261 0.79 F10 (0.49) F10ROCK2FPR1FPR2
SCHEMBL6986765 0.77 F10 (0.48) F10ROCK2FPR1FPR2
SCHEMBL6989712 0.76 F10 (0.65) F10
SCHEMBL7139450 0.75 FPR2 (0.55) F10FPR1FPR2
SCHEMBL6986892 0.74 F10 (0.65) F10
SCHEMBL28703156 0.73 F10 (0.42) 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 4 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
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