SCHEMBL1920875

SCHEMBL1920875

CN(C(=O)O)c1ccc(-c2nc([C@H](Cc3ccccc3)NC(=O)/C=C/c3c(F)ccc(Cl)c3F)[nH]c2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.47
KLKB1 P03952 6/20 0.47
KLK1 P06870 2/20 0.43
PLAT P00750 1/20 0.43
PRSS1 P07477 4/20 0.40
PRSS2 P07478 4/20 0.40
PRSS3 P35030 4/20 0.40
F10 P00742 2/20 0.39
F12 P00748 2/20 0.39
F7 P08709 2/20 0.39
PLG P00747 1/20 0.39
NOS2 P35228 3/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 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
SCHEMBL1197078 0.86 F11 (0.63) F11KLKB1PLATF10PLG
SCHEMBL1197080 0.86 F11 (0.63) F11KLKB1PLATF10PLG
SCHEMBL1197079 0.86 F11 (0.63) F11KLKB1PLATF10PLG
SCHEMBL1197212 0.81 F11 (0.47) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197206 0.81 F11 (0.47) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197208 0.81 F11 (0.47) F11KLKB1KLK1PLATPRSS1
SCHEMBL1197204 0.81 F11 (0.47) F11KLKB1KLK1PLATPRSS1
SCHEMBL1920914 0.76 F11 (0.40) F11KLKB1KLK1PLATPRSS1
SCHEMBL1920879 0.73 F11 (0.42) F11KLKB1KLK1PLATPRSS1
SCHEMBL1922355 0.72 F11 (0.58) 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