SCHEMBL1455737

SCHEMBL1455737

COCCOCCOCc1cc(C(=O)NC2CCN(C(C)C)CC2)nn1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.67
F2 P00734 1/20 0.57
KLK1 P06870 1/20 0.57

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
SCHEMBL3838146 0.90 F10 (0.61) F10F2KLK1
SCHEMBL1455580 0.88 F10 (0.73) F10F2KLK1
SCHEMBL1456139 0.87 F10 (0.72) F10F2KLK1
SCHEMBL3837648 0.86 F10 (0.65) F10F2KLK1
SCHEMBL3833104 0.86 F10 (0.69) F10F2KLK1
SCHEMBL1455650 0.85 F10 (0.73) F10F2KLK1
SCHEMBL1456597 0.85 F10 (0.77) F10F2KLK1
SCHEMBL1456038 0.85 F10 (0.80) F10F2KLK1
SCHEMBL1456259 0.85 F10 (0.77) F10F2KLK1
SCHEMBL3838721 0.85 F10 (0.71) 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 4 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
EP-1581523-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-10-05 EP disclosed
WO-2004056815-A1 PYRAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 WO disclosed