SCHEMBL27724907

SCHEMBL27724907

NCc1ccc(Cl)cc1CNC(=O)NC(Cc1ccccc1)c1nc(-c2ccc3c(N)n[nH]c3c2)c(Cl)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.67
PRSS1 P07477 4/20 0.67
PRSS2 P07478 4/20 0.67
PRSS3 P35030 4/20 0.67
KLKB1 P03952 7/20 0.63
F7 P08709 3/20 0.63
F10 P00742 2/20 0.63
F12 P00748 2/20 0.63
KLK1 P06870 2/20 0.63
PLG P00747 1/20 0.63
PLAT P00750 1/20 0.57

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
SCHEMBL1195921 1.00 F11 (0.67) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL12011606 0.94 F11 (0.67) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1196225 0.93 F11 (0.68) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL27745707 0.93 F11 (0.68) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL12011675 0.93 F11 (0.57) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1197072 0.93 F11 (0.69) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1197156 0.93 F11 (0.69) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL27724979 0.93 F11 (0.69) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL1197165 0.92 F11 (0.64) F11PRSS1PRSS2PRSS3KLKB1
SCHEMBL27745633 0.91 F11 (0.67) 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
CN-101341129-B Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2011-12-14 CN disclosed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN disclosed