SCHEMBL4416638

SCHEMBL4416638

CC(C)N1CCC(NC(=O)Oc2nn(CC(=O)Nc3ccc(Cl)cn3)c3ccc(C(=O)N4CCCOCC4)cc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.47
F2 P00734 2/20 0.47
HRH3 Q9Y5N1 1/20 0.38
LRRK2 Q5S007 3/20 0.37
GRM5 P41594 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 0.86 F10 (0.55) F10F2HRH3
SCHEMBL3368811 0.85 F10 (0.51) F10F2HRH3LRRK2
SCHEMBL1652749 0.81 F10 (0.69) F10F2
SCHEMBL1381845 0.81 F10 (0.56) F10F2HRH3
SCHEMBL1456377 0.80 F10 (0.57) F10F2
SCHEMBL4416019 0.79 GRM5 (0.43) F10GRM5
SCHEMBL3372792 0.78 F10 (0.49) F10F2HRH3
SCHEMBL3371161 0.78 F10 (0.53) F10F2
SCHEMBL4419134 0.77 FLT3 (0.42) F10
SCHEMBL6016992 0.75 F10 (0.46) F10F2HRH3GRM5

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-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed