SCHEMBL3368811

SCHEMBL3368811

CC(C)N1CCC(NC(=O)Oc2nc3cc(C(=O)N4CCCOCC4)ccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.51
F2 P00734 2/20 0.51
HRH3 Q9Y5N1 2/20 0.39
KMT2A Q03164 1/20 0.37
LRRK2 Q5S007 2/20 0.36
MOK Q9UQ07 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
SCHEMBL3231945 0.89 F10 (0.55) F10F2HRH3
SCHEMBL1381845 0.89 F10 (0.56) F10F2HRH3KMT2A
SCHEMBL3369704 0.89 F10 (0.54) F10F2
SCHEMBL3371161 0.86 F10 (0.53) F10F2MOK
SCHEMBL3372792 0.86 F10 (0.49) F10F2HRH3
SCHEMBL4416638 0.85 F10 (0.47) F10F2HRH3LRRK2
SCHEMBL1652749 0.84 F10 (0.69) F10F2
SCHEMBL6016992 0.84 F10 (0.46) F10F2HRH3KMT2AMOK
SCHEMBL3368978 0.84 F10 (0.54) F10F2
SCHEMBL3373066 0.83 F10 (0.55) F10F2MOK

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