SCHEMBL1456090

SCHEMBL1456090

CCCc1cc(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.78
F2 P00734 1/20 0.67
KLK1 P06870 1/20 0.67

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
SCHEMBL1456410 0.91 F10 (0.81) F10F2KLK1
SCHEMBL1455408 0.90 F10 (0.80) F10F2KLK1
SCHEMBL1456038 0.90 F10 (0.80) F10F2KLK1
SCHEMBL1455915 0.89 F10 (0.78) F10F2KLK1
SCHEMBL3837615 0.88 F10 (0.68) F10F2KLK1
Hydrochloric Acid SCHEMBL1456520 0.88 F10 (0.77) F10F2KLK1
SCHEMBL1456536 0.88 F10 (0.77) F10F2KLK1
SCHEMBL1456139 0.88 F10 (0.72) F10F2KLK1
SCHEMBL1456774 0.88 F10 (0.76) F10F2KLK1
SCHEMBL1455774 0.87 F10 (0.73) 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