SCHEMBL3833175

SCHEMBL3833175

COC(=O)Nc1ccc(-c2ccnc(CNC(=O)/C=C/c3cc(Cl)ccc3-c3nnn[nH]3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.46
F10 P00742 4/20 0.44
KLKB1 P03952 4/20 0.44
PLG P00747 3/20 0.44
PLAT P00750 3/20 0.44
PROC P04070 1/20 0.38
F9 P00740 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
SCHEMBL4707091 0.85 F11 (0.53) F11F10KLKB1PLGPLAT
SCHEMBL3834387 0.85 F11 (0.46) F11F10KLKB1PLGPLAT
SCHEMBL3608267 0.79 F11 (0.70) F11F10KLKB1PLGPLAT
SCHEMBL16938793 0.79 F11 (0.51) F11F10KLKB1PLGPLAT
SCHEMBL3613011 0.79 F11 (0.70) F11F10KLKB1PLGPLAT
SCHEMBL3633162 0.78 F11 (0.46) F11F10KLKB1PLGPLAT
SCHEMBL3634639 0.77 F11 (0.51) F11F10KLKB1PLGPLAT
SCHEMBL3633421 0.74 F11 (0.65) F11F10KLKB1PLGPLAT
SCHEMBL3634024 0.74 F11 (0.39) F11F10KLKB1PLGPLAT
SCHEMBL3634339 0.72 MAPT (0.39)

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
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO disclosed