SCHEMBL1455393

SCHEMBL1455393

CC(C)N1CCC(CNC(=O)c2cc(-c3cccs3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.62
F2 P00734 1/20 0.51
KLK1 P06870 1/20 0.51

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
SCHEMBL1456206 0.90 F10 (0.69) F10F2KLK1
SCHEMBL3836102 0.88 F10 (0.56) F10F2KLK1
SCHEMBL1455873 0.88 F10 (0.64) F10F2KLK1
SCHEMBL1456107 0.87 F10 (0.66) F10F2KLK1
SCHEMBL1456259 0.83 F10 (0.77) F10F2KLK1
SCHEMBL3835594 0.82 F10 (0.56) F10F2KLK1
SCHEMBL3838200 0.81 F10 (0.62) F10F2KLK1
SCHEMBL2783165 0.80 PTGER1 (0.45) F10F2
SCHEMBL6266041 0.78 F10 (0.65) F10F2KLK1
SCHEMBL1456352 0.78 F10 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US claimed
US-7910606-B2 Pyrazole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-03-22 US disclosed