SCHEMBL3630833

SCHEMBL3630833

COC(=O)Nc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c2cc(Cl)ccc2-c2nnn[nH]2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 19/20 0.57
KLKB1 P03952 14/20 0.57
F10 P00742 3/20 0.46
PLAT P00750 2/20 0.46
PLG P00747 2/20 0.46
F9 P00740 1/20 0.45
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
PROC P04070 1/20 0.45

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
SCHEMBL3633421 0.94 F11 (0.65) F11KLKB1F10PLATPLG
SCHEMBL3635061 0.87 F11 (0.51) F11KLKB1NOS3NOS1NOS2
SCHEMBL3632133 0.86 F11 (0.58) F11KLKB1F10PLATPLG
SCHEMBL3634248 0.85 F11 (0.57) F11KLKB1
SCHEMBL3634839 0.84 F11 (0.54) F11KLKB1F10PLATPLG
SCHEMBL3634639 0.84 F11 (0.51) F11KLKB1F10PLATPLG
SCHEMBL3635449 0.83 F11 (0.57) F11KLKB1
SCHEMBL3636481 0.83 F11 (0.54) F11KLKB1
SCHEMBL3634066 0.83 F11 (0.48) F11KLKB1F10PLATPLG
SCHEMBL3007765 0.81 F11 (0.86) F11KLKB1F10PLATPLG

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-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed