SCHEMBL1920850

SCHEMBL1920850

CN(C(=O)O)c1ccc(-c2nc([C@H](Cc3ccn(C)n3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.62
KLKB1 P03952 2/20 0.45
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
F2 P00734 4/20 0.38

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
SCHEMBL12011704 0.91 F11 (0.65) F11KLKB1PLATKLK1F2
SCHEMBL1197646 0.88 F11 (0.79) F11KLKB1PLAT
SCHEMBL1197645 0.88 F11 (0.79) F11KLKB1PLAT
SCHEMBL12011687 0.80 F11 (0.82) F11KLKB1PLATKLK1F2
SCHEMBL12011707 0.79 F11 (0.63) F11KLKB1PLATKLK1F2
SCHEMBL1196587 0.78 F11 (0.79) F11KLKB1PLAT
SCHEMBL1197275 0.78 F11 (0.74) F11KLKB1PLATKLK1
SCHEMBL12011714 0.78 F11 (0.74) F11KLKB1PLATKLK1F2
SCHEMBL12011710 0.77 F11 (0.69) F11KLKB1PLATKLK1F2
SCHEMBL1196905 0.77 F11 (0.77) F11KLKB1PLATKLK1F2

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
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP claimed
EP-1981854-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-06-01 EP disclosed