SCHEMBL1456472

SCHEMBL1456472

CCCc1c(C#N)c(C(=O)NC2CCN(C(C)C)CC2)nn1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
F2 P00734 1/20 0.58
KLK1 P06870 1/20 0.58

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
SCHEMBL3834779 0.89 F10 (0.62) F10F2KLK1
SCHEMBL1456758 0.88 F10 (0.70) F10F2KLK1
SCHEMBL1456208 0.86 F10 (0.70) F10F2KLK1
SCHEMBL1456090 0.85 F10 (0.78) F10F2KLK1
SCHEMBL1456139 0.84 F10 (0.72) F10F2KLK1
SCHEMBL3837650 0.83 F10 (0.60) F10F2KLK1
SCHEMBL2782232 0.83 F10 (0.46) F10F2
SCHEMBL1456350 0.82 F10 (0.72) F10F2KLK1
SCHEMBL3837615 0.81 F10 (0.68) F10F2KLK1
SCHEMBL1456811 0.81 F10 (0.74) 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