SCHEMBL1920790

SCHEMBL1920790

N[C@@H](Cc1ccc2c(c1)CS(=O)(=O)C2)c1nc(-c2ccc(NC(=O)O)cc2)c(Cl)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.39
KLKB1 P03952 4/20 0.37
ROCK2 O75116 4/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
F12 P00748 1/20 0.34
KLK1 P06870 1/20 0.34
F7 P08709 1/20 0.34

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
SCHEMBL1196071 0.91 F11 (0.48) F11KLKB1
SCHEMBL1196623 0.76 F11 (0.52) F11KLKB1
SCHEMBL1196835 0.75 F11 (0.46) F11KLKB1
SCHEMBL1196839 0.75 F11 (0.46) F11KLKB1
SCHEMBL1197333 0.72 F11 (0.63) F11KLKB1ROCK2PRSS1PRSS2
SCHEMBL1197057 0.72 F11 (0.63) F11KLKB1ROCK2PRSS1PRSS2
SCHEMBL1197359 0.71 F11 (0.55) F11KLKB1
SCHEMBL1197356 0.71 F11 (0.55) F11KLKB1
SCHEMBL1196551 0.69 F11 (0.57) F11KLKB1ROCK2PRSS1PRSS2
SCHEMBL1196478 0.67 F11 (0.52) F11KLKB1

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 3 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 disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed