SCHEMBL5045751

SCHEMBL5045751

COCCNC(=O)c1ccc(C(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.71
F2 P00734 1/20 0.70
KLK1 P06870 1/20 0.70

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
SCHEMBL5040561 0.91 F10 (0.74) F10F2KLK1
SCHEMBL5035767 0.90 F10 (0.76) F10F2KLK1
SCHEMBL5040139 0.89 F10 (0.66) F10F2KLK1
SCHEMBL3832919 0.88 F10 (0.72) F10F2KLK1
SCHEMBL3833104 0.88 F10 (0.69) F10F2KLK1
SCHEMBL5038619 0.84 F10 (0.72) F10F2KLK1
SCHEMBL6295673 0.84 F10 (0.65) F10F2KLK1
SCHEMBL1674936 0.83 F10 (0.77) F10F2KLK1
SCHEMBL1455580 0.83 F10 (0.73) F10F2KLK1
SCHEMBL1675026 0.83 F10 (0.80) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US claimed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP claimed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO claimed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP claimed
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
EP-1568698-A1 Pyrrole-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-08-31 EP disclosed