SCHEMBL8238928

SCHEMBL8238928

CNC(=O)c1cccc(C[C@H](NC(=O)NCc2cc(Cl)ccc2-n2cnnn2)c2nc(-c3ccc(NC(=O)O)cc3)c(Cl)[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.76
KLKB1 P03952 3/20 0.56
PLAT P00750 2/20 0.47
KLK1 P06870 2/20 0.47
F10 P00742 1/20 0.44

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
SCHEMBL1197010 0.94 F11 (0.85) F11KLKB1PLATKLK1F10
SCHEMBL12011711 0.94 F11 (0.70) F11KLKB1PLATKLK1
SCHEMBL8241339 0.92 F11 (0.76) F11KLKB1PLATKLK1F10
SCHEMBL1197442 0.89 F11 (0.89) F11KLKB1PLATKLK1F10
SCHEMBL1197448 0.89 F11 (0.89) F11KLKB1PLATKLK1F10
SCHEMBL12011714 0.89 F11 (0.74) F11KLKB1PLATKLK1
SCHEMBL8238423 0.88 F11 (0.70) F11KLKB1PLATKLK1F10
SCHEMBL1197447 0.88 F11 (0.87) F11KLKB1PLATKLK1F10
SCHEMBL1197449 0.88 F11 (0.87) F11KLKB1PLATKLK1F10
SCHEMBL1196504 0.87 F11 (0.86) F11KLKB1PLATKLK1F10

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
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed