SCHEMBL6016887

SCHEMBL6016887

CC(C)N1CCC(N)CC1.CC1CCCC(C)N1C(=O)c1cccc2c1nc(C(=O)O)n2CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.50
F2 P00734 2/20 0.50
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3369950 0.91 F10 (0.43) F10F2ALDH1A1L3MBTL1HTT
SCHEMBL1382572 0.89 F10 (0.61) F10F2
SCHEMBL3369266 0.83 F10 (0.55) F10F2
SCHEMBL6016954 0.82 F10 (0.55) F10F2ALDH1A1
SCHEMBL1381138 0.80 F10 (0.67) F10F2
SCHEMBL6016873 0.78 F10 (0.48) F10F2ALDH1A1
SCHEMBL6016885 0.77 F10 (0.38) F10F2ALDH1A1L3MBTL1
SCHEMBL1378573 0.77 F10 (0.62) F10F2
SCHEMBL3368838 0.77 ALDH1A1 (0.43) F10F2ALDH1A1L3MBTL1HTT
SCHEMBL3369734 0.77 F10 (0.63) F10F2

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