SCHEMBL1920344

SCHEMBL1920344

CCOC(=O)Oc1cn(-c2ccc(Cl)cc2/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3cc[nH]c(=O)c3)c(Cl)[nH]2)nn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.56
KLKB1 P03952 6/20 0.56
PLAT P00750 4/20 0.54
KLK1 P06870 1/20 0.54
F10 P00742 4/20 0.45
F9 P00740 2/20 0.42
PLG P00747 3/20 0.42
PROC P04070 2/20 0.42
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL1921238 0.93 F11 (0.58) F11KLKB1PLATKLK1F10
SCHEMBL1196214 0.90 F11 (0.57) F11KLKB1PLATKLK1F10
SCHEMBL1196216 0.90 F11 (0.57) F11KLKB1PLATKLK1F10
SCHEMBL1197685 0.88 F11 (0.59) F11KLKB1PLATKLK1F10
SCHEMBL1197683 0.88 F11 (0.59) F11KLKB1PLATKLK1F10
SCHEMBL1921226 0.88 F11 (0.74) F11KLKB1PLATF10F9
SCHEMBL1920396 0.87 F11 (0.73) F11KLKB1PLATKLK1F10
SCHEMBL1197118 0.84 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1197119 0.84 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1920923 0.81 F11 (0.78) F11KLKB1PLATF10F9

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