SCHEMBL3368978

SCHEMBL3368978

CC(C)N1CCC(NC(=O)Oc2nc3ccc(C(=O)N4CC(O)C4)cc3n2CC(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.54
F2 P00734 2/20 0.54
CCNK O75909 1/20 0.37
CDK12 Q9NYV4 1/20 0.37
ACSS2 Q9NR19 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
SCHEMBL3369704 0.95 F10 (0.54) F10F2CCNKCDK12
SCHEMBL3372878 0.85 F10 (0.56) F10F2
SCHEMBL3372965 0.85 F10 (0.66) F10F2
SCHEMBL3368811 0.84 F10 (0.51) F10F2
SCHEMBL6017050 0.83 F10 (0.49) F10F2CCNKCDK12ACSS2
SCHEMBL1379542 0.83 F10 (0.60) F10F2
SCHEMBL3369753 0.82 F10 (0.54) F10F2
SCHEMBL1653789 0.82 F10 (0.73) F10F2
SCHEMBL3370345 0.78 F10 (0.54) F10F2
SCHEMBL1379145 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed