SCHEMBL6016992

SCHEMBL6016992

CC(C)N1CCC(N)CC1.O=C(Cn1c(C(=O)O)nc2cc(C(=O)N3CCCOCC3)ccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
F2 P00734 1/20 0.46
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.39
MOK Q9UQ07 1/20 0.38
PADI4 Q9UM07 2/20 0.38
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
GRM5 P41594 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL3369253 0.90 GRM5 (0.43) F10KMT2AMOKGRM5MAPK1
SCHEMBL1381845 0.90 F10 (0.56) F10F2HRH3KMT2A
SCHEMBL6017044 0.85 F10 (0.45) F10F2KMT2AMOK
SCHEMBL3368811 0.84 F10 (0.51) F10F2HRH3KMT2AMOK
SCHEMBL6017050 0.83 F10 (0.49) F10F2PADI4CCNT1CDK9
SCHEMBL1652749 0.81 F10 (0.69) F10F2
SCHEMBL3231945 0.79 F10 (0.55) F10F2HRH3
SCHEMBL3369596 0.78 F10 (0.65) F10F2
SCHEMBL3236594 0.78 GRM5 (0.44) F10F2HRH3KMT2AMOK
SCHEMBL1379542 0.78 F10 (0.60) 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