SCHEMBL1921453

SCHEMBL1921453

COC(=O)Nc1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cc(OC(=O)O)cn3)[nH]c2Cl)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.76
KLKB1 P03952 5/20 0.76
F10 P00742 5/20 0.61
PLAT P00750 4/20 0.61
PLG P00747 4/20 0.56
PROC P04070 2/20 0.56
F2 P00734 1/20 0.54
F9 P00740 1/20 0.54
PLAU P00749 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
F7 P08709 1/20 0.54
PRSS3 P35030 1/20 0.54

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
SCHEMBL1197983 0.92 F11 (0.80) F11KLKB1F10PLATPLG
SCHEMBL1197986 0.92 F11 (0.80) F11KLKB1F10PLATPLG
SCHEMBL1196877 0.90 F11 (0.77) F11KLKB1F10PLATPLG
SCHEMBL1196878 0.90 F11 (0.77) F11KLKB1F10PLATPLG
SCHEMBL1920923 0.89 F11 (0.78) F11KLKB1F10PLATPLG
SCHEMBL1197670 0.87 F11 (0.84) F11KLKB1F10PLATPLG
SCHEMBL1197674 0.87 F11 (0.84) F11KLKB1F10PLATPLG
SCHEMBL1197821 0.86 F11 (0.79) F11KLKB1F10PLATPLG
SCHEMBL1197826 0.86 F11 (0.79) F11KLKB1F10PLATPLG
SCHEMBL1197929 0.86 F11 (1.00) F11KLKB1F10PLATPLG

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