SCHEMBL3834985

SCHEMBL3834985

COC(=O)Oc1cc(C(=O)NC2CCN(C(C)C)CC2)n(Cc2cc(-c3ccc(Cl)s3)on2)n1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.75
F2 P00734 1/20 0.65
KLK1 P06870 1/20 0.65

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
SCHEMBL3833108 0.94 F10 (0.71) F10F2KLK1
SCHEMBL3838139 0.94 F10 (0.75) F10F2KLK1
SCHEMBL1456947 0.90 F10 (0.74) F10F2KLK1
SCHEMBL1456410 0.89 F10 (0.81) F10F2KLK1
SCHEMBL1455979 0.89 F10 (0.72) F10F2KLK1
SCHEMBL1456774 0.89 F10 (0.76) F10F2KLK1
SCHEMBL1456529 0.89 F10 (0.69) F10F2KLK1
SCHEMBL1455408 0.88 F10 (0.80) F10F2KLK1
SCHEMBL1456038 0.88 F10 (0.80) F10F2KLK1
SCHEMBL3833387 0.87 F10 (0.74) 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