SCHEMBL6016870

SCHEMBL6016870

CC(C)N1CCC(c2ccc3c(nc(C(=O)O)n3CC(=O)Nc3ccc(Cl)cn3)c2OCCO[Si](C)(C)C(C)(C)C)CC1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.39
F2 P00734 1/20 0.36
ALDH1A1 P00352 1/20 0.31
IDO1 P14902 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6016952 0.92 F10 (0.46) F10F2ALDH1A1IDO1POLB
SCHEMBL6016885 0.80 F10 (0.38) F10F2ALDH1A1IDO1POLB
SCHEMBL6016873 0.79 F10 (0.48) F10F2ALDH1A1
SCHEMBL6017047 0.78 F10 (0.39) F10F2ALDH1A1IDO1POLB
SCHEMBL3370984 0.76 RAB9A (0.40) F10F2ALDH1A1
SCHEMBL6016990 0.76 F10 (0.36) F10F2ALDH1A1POLB
SCHEMBL6257006 0.71 F10 (0.44) F10F2ALDH1A1POLB
SCHEMBL6017043 0.71 F10 (0.35) F10F2ALDH1A1POLB
SCHEMBL6016954 0.70 F10 (0.55) F10F2ALDH1A1
SCHEMBL3371312 0.67 F10 (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