SCHEMBL6016943

SCHEMBL6016943

CC(C)N1CCC(N)CC1.O=C(O)c1nc2cc(C(=O)N3CC(O)C3)ccc2n1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.57
F2 P00734 2/20 0.49
KLK1 P06870 1/20 0.49

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
SCHEMBL3371060 0.89 F10 (0.61) F10F2KLK1
SCHEMBL1382012 0.88 F10 (0.75) F10F2KLK1
SCHEMBL6016927 0.86 F10 (0.55) F10F2KLK1
SCHEMBL3369769 0.82 F10 (0.59) F10F2KLK1
SCHEMBL6016953 0.81 F10 (0.55) F10F2KLK1
SCHEMBL1379820 0.81 F10 (0.81) F10F2KLK1
SCHEMBL1654301 0.79 F10 (0.78) F10F2KLK1
SCHEMBL3238972 0.78 F10 (0.63) F10F2KLK1
SCHEMBL1379061 0.77 F10 (0.79) F10F2KLK1
SCHEMBL3239733 0.77 F10 (0.53) 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-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed