SCHEMBL1920992

SCHEMBL1920992

CNC(=O)Nc1ccc(Cl)cc1CNC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc(N(C)C(=O)O)cc2)c(Cl)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 16/20 0.57
KLKB1 P03952 5/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
KLK1 P06870 2/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
F12 P00748 1/20 0.37
F7 P08709 1/20 0.37
PLAT P00750 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
PYGL P06737 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL12011740 0.90 F11 (0.61) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921123 0.89 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921124 0.89 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1922355 0.88 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1922357 0.88 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1197546 0.87 F11 (0.76) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL8241289 0.87 F11 (0.61) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1197545 0.87 F11 (0.76) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921444 0.84 F11 (0.59) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921082 0.84 F11 (0.53) F11KLKB1PRSS1PRSS2PRSS3

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