SCHEMBL3836080

SCHEMBL3836080

CO[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccc(Br)c3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.80
KLKB1 P03952 1/20 0.49

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
SCHEMBL3834852 0.93 F10 (0.84) F10KLKB1
SCHEMBL3833572 0.92 F10 (0.81) F10KLKB1
SCHEMBL3833371 0.92 F10 (0.81) F10KLKB1
SCHEMBL3828719 0.92 F10 (0.81) F10
SCHEMBL3830696 0.91 F10 (0.80) F10KLKB1
SCHEMBL3830310 0.91 F10 (0.80) F10KLKB1
SCHEMBL3830175 0.91 F10 (0.80) F10KLKB1
SCHEMBL3835170 0.90 F10 (0.79) F10KLKB1
SCHEMBL3835168 0.90 F10 (0.79) F10KLKB1
SCHEMBL3835019 0.90 F10 (0.79) F10KLKB1

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-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 EP disclosed