SCHEMBL1455841

SCHEMBL1455841

CC(C)N1CCC(NC(=O)c2cc(C(=O)N3CCOCC3)n(Cc3cc(-c4ccc(Cl)s4)on3)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.69
F2 P00734 1/20 0.60
KLK1 P06870 1/20 0.60

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
SCHEMBL1456213 0.97 F10 (0.66) F10F2KLK1
SCHEMBL1456581 0.94 F10 (0.72) F10F2KLK1
SCHEMBL1456666 0.94 F10 (0.71) F10F2KLK1
SCHEMBL1456789 0.94 F10 (0.71) F10F2KLK1
SCHEMBL1456379 0.93 F10 (0.69) F10F2KLK1
SCHEMBL1455914 0.93 F10 (0.69) F10F2KLK1
SCHEMBL1456843 0.92 F10 (0.68) F10F2KLK1
SCHEMBL1456189 0.91 F10 (0.68) F10F2KLK1
SCHEMBL1456588 0.91 F10 (0.68) F10F2KLK1
SCHEMBL1456898 0.91 F10 (0.69) 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