SCHEMBL6295673

SCHEMBL6295673

COCCOCc1ncc(C(=O)NC2CCN(C(C)C)CC2)n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.65
F2 P00734 1/20 0.65
KLK1 P06870 1/20 0.65

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
SCHEMBL4607452 0.91 F10 (0.59) F10F2KLK1
SCHEMBL1455580 0.86 F10 (0.73) F10F2KLK1
SCHEMBL4605751 0.84 F10 (0.61) F10F2KLK1
SCHEMBL5045751 0.84 F10 (0.71) F10F2KLK1
SCHEMBL4604490 0.84 F10 (0.62) F10F2KLK1
SCHEMBL4604738 0.83 F10 (0.68) F10F2KLK1
SCHEMBL4606065 0.83 F10 (0.45) F10F2KLK1
SCHEMBL5040561 0.83 F10 (0.74) F10F2KLK1
SCHEMBL4607059 0.83 F10 (0.44) F10F2KLK1
SCHEMBL1455737 0.82 F10 (0.67) 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
EP-1569927-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed
WO-2004050636-A2 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-17 WO disclosed