SCHEMBL13611670

SCHEMBL13611670

CNC(=O)c1cc(=O)[nH]c2ccc(-c3[nH]c([C@H](Cc4ccccc4)NC(=O)/C=C/c4cc(Cl)ccc4-n4cnnn4)nc3C)cc12

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.59
KLKB1 P03952 9/20 0.59
PLAT P00750 5/20 0.59
KLK1 P06870 1/20 0.59
F10 P00742 5/20 0.56
F9 P00740 2/20 0.53
PLG P00747 4/20 0.51
PROC P04070 2/20 0.51
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
F7 P08709 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL12012893 0.95 F11 (0.60) F11KLKB1PLATKLK1F10
SCHEMBL1196864 0.92 F11 (0.71) F11KLKB1PLATKLK1F10
SCHEMBL1196866 0.92 F11 (0.71) F11KLKB1PLATKLK1F10
SCHEMBL1197574 0.86 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1920231 0.86 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1196342 0.84 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1196340 0.84 F11 (0.74) F11KLKB1PLATKLK1F10
SCHEMBL1196976 0.82 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1196973 0.82 F11 (0.75) F11KLKB1PLATKLK1F10
SCHEMBL1196975 0.82 F11 (0.75) F11KLKB1PLATKLK1F10

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
US-7626039-B2 Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-01 US disclosed