SCHEMBL1922355

SCHEMBL1922355

CN(C(=O)O)c1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N)[nH]c2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.58
PRSS1 P07477 4/20 0.46
PRSS2 P07478 4/20 0.46
PRSS3 P35030 4/20 0.46
KLKB1 P03952 6/20 0.44
KLK1 P06870 2/20 0.42
F10 P00742 2/20 0.42
F12 P00748 2/20 0.42
F7 P08709 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 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
SCHEMBL1922357 1.00 F11 (0.58) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1920992 0.88 F11 (0.57) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1921123 0.88 F11 (0.55) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1921124 0.88 F11 (0.55) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1921444 0.87 F11 (0.59) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL8240984 0.87 F11 (0.67) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1921082 0.86 F11 (0.53) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1196708 0.86 F11 (0.79) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1196710 0.86 F11 (0.79) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1922226 0.85 F11 (0.53) F11PRSS1PRSS2PRSS3KLKB1

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