SCHEMBL6016954

SCHEMBL6016954

CC(C)N1CCC(N)CC1.COCCOc1cccc2c1nc(C(=O)O)n2CC(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.55
F2 P00734 2/20 0.53
ALDH1A1 P00352 1/20 0.38
NPY1R P25929 1/20 0.36

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
SCHEMBL6016873 0.91 F10 (0.48) F10F2ALDH1A1NPY1R
SCHEMBL1380548 0.89 F10 (0.65) F10F2
SCHEMBL3371312 0.89 F10 (0.45) F10F2ALDH1A1
SCHEMBL1383452 0.83 F10 (0.63) F10F2
SCHEMBL1379117 0.83 F10 (0.61) F10F2
SCHEMBL3371678 0.83 F10 (0.61) F10F2
SCHEMBL6016887 0.82 F10 (0.50) F10F2ALDH1A1
SCHEMBL3368985 0.81 F10 (0.64) F10F2
SCHEMBL3374120 0.81 F10 (0.64) F10F2
SCHEMBL3371687 0.81 RAB9A (0.45) F10F2ALDH1A1

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