SCHEMBL1921444

SCHEMBL1921444

CN(C(=O)O)c1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)NCc3cc(Cl)ccc3N3CCCC3)[nH]c2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.59
KLKB1 P03952 6/20 0.43
PRSS1 P07477 4/20 0.40
PRSS2 P07478 4/20 0.40
PRSS3 P35030 4/20 0.40
KLK1 P06870 2/20 0.40
PLAT P00750 1/20 0.40
F10 P00742 2/20 0.38
F12 P00748 2/20 0.38
F7 P08709 2/20 0.38
PLG P00747 1/20 0.38

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
SCHEMBL12011712 0.91 F11 (0.62) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1922355 0.87 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1922357 0.87 F11 (0.58) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1196721 0.87 F11 (0.77) F11KLKB1KLK1PLATF10
SCHEMBL1196720 0.87 F11 (0.77) F11KLKB1KLK1PLATF10
SCHEMBL1920992 0.84 F11 (0.57) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921123 0.84 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL1921124 0.84 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL12011717 0.84 F11 (0.55) F11KLKB1PRSS1PRSS2PRSS3
SCHEMBL8241649 0.83 F11 (0.62) 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