SCHEMBL3837253

SCHEMBL3837253

CC(C)N1CCC(NC(=O)Oc2cc(C(=O)N3CCCC3(C)C)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
F2 P00734 1/20 0.54
KLK1 P06870 1/20 0.54

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
SCHEMBL3837207 0.91 F10 (0.64) F10F2KLK1
SCHEMBL3835245 0.89 F10 (0.64) F10F2KLK1
SCHEMBL3838125 0.89 F10 (0.60) F10F2KLK1
SCHEMBL1456511 0.89 F10 (0.66) F10F2KLK1
SCHEMBL3835011 0.88 F10 (0.59) F10F2KLK1
SCHEMBL3834800 0.88 F10 (0.61) F10F2KLK1
SCHEMBL3836589 0.87 F10 (0.63) F10F2KLK1
SCHEMBL1455787 0.86 F10 (0.69) F10F2KLK1
SCHEMBL3834780 0.86 F10 (0.62) F10F2KLK1
SCHEMBL3833117 0.85 F10 (0.59) 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-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed