SCHEMBL1455830

SCHEMBL1455830

CC(C)N1CCC(NC(=O)c2cc(-c3cccs3)nn2Cc2csc(-c3ccc(Cl)s3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.56
F2 P00734 1/20 0.52
KLK1 P06870 1/20 0.52

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
SCHEMBL1456352 0.88 F10 (0.73) F10F2KLK1
SCHEMBL1455510 0.87 F10 (0.53) F10F2KLK1
SCHEMBL3835203 0.82 F10 (0.48) F10F2KLK1
SCHEMBL1456410 0.81 F10 (0.81) F10F2KLK1
SCHEMBL2780183 0.81 MEN1 (0.46)
SCHEMBL1456067 0.80 F10 (0.63) F10F2KLK1
SCHEMBL1456107 0.78 F10 (0.66) F10F2KLK1
SCHEMBL3833120 0.78 F10 (0.64) F10F2KLK1
SCHEMBL1455285 0.76 F10 (0.67) F10F2KLK1
SCHEMBL1456206 0.75 F10 (0.69) F10F2KLK1

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
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US claimed
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US disclosed