SCHEMBL4419115

SCHEMBL4419115

CC(C)N1CCC(NC(=O)Oc2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3cccc(C#N)c23)CC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
F2 P00734 2/20 0.57
KLK1 P06870 1/20 0.57

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
SCHEMBL4424896 0.88 F10 (0.77) F10F2KLK1
SCHEMBL4414412 0.86 F10 (0.59) F10F2KLK1
SCHEMBL3835615 0.86 F10 (0.66) F10F2KLK1
SCHEMBL3836939 0.84 F10 (0.67) F10F2KLK1
SCHEMBL3838131 0.84 F10 (0.61) F10F2KLK1
SCHEMBL3834779 0.84 F10 (0.62) F10F2KLK1
SCHEMBL3834020 0.81 F10 (0.70) F10F2KLK1
SCHEMBL4422077 0.81 F10 (0.64) F10F2KLK1
SCHEMBL3834125 0.81 F10 (0.67) F10F2KLK1
SCHEMBL3839141 0.81 F10 (0.67) F10F2KLK1

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