SCHEMBL1920396

SCHEMBL1920396

CCOC(=O)Oc1cn(-c2ccc(Cl)cc2/C=C/C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc4c(N)n[nH]c4c3)c(Cl)[nH]2)nn1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.73
KLKB1 P03952 8/20 0.73
KLK1 P06870 2/20 0.73
PLAT P00750 2/20 0.73
PRSS1 P07477 4/20 0.53
PRSS2 P07478 4/20 0.53
PRSS3 P35030 4/20 0.53
F10 P00742 4/20 0.49
F12 P00748 2/20 0.49
F7 P08709 2/20 0.49
PLG P00747 2/20 0.49
PROC P04070 1/20 0.43
F9 P00740 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
SCHEMBL1920672 0.94 F11 (0.77) F11KLKB1KLK1PLATPRSS1
SCHEMBL1922307 0.91 F11 (0.75) F11KLKB1KLK1PLATPRSS1
SCHEMBL1922308 0.91 F11 (0.75) F11KLKB1KLK1PLATPRSS1
SCHEMBL8233827 0.88 F11 (0.80) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196521 0.88 F11 (0.80) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196518 0.88 F11 (0.80) F11KLKB1KLK1PLATPRSS1
SCHEMBL1920344 0.87 F11 (0.56) F11KLKB1KLK1PLATPRSS1
SCHEMBL1921226 0.86 F11 (0.74) F11KLKB1PLATPRSS1PRSS2
SCHEMBL1197128 0.85 F11 (1.00) F11KLKB1KLK1PLATPRSS1
SCHEMBL1196983 0.85 F11 (0.84) F11KLKB1KLK1PLATPRSS1

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