SCHEMBL8006301

SCHEMBL8006301

COC(=O)Nc1ccc(-c2cc([C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)nnc2C(=O)OC)cc1

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.92
F10 P00742 5/20 0.87
PLG P00747 4/20 0.87
PLAT P00750 4/20 0.87
KLKB1 P03952 7/20 0.86
F9 P00740 2/20 0.86
PROC P04070 2/20 0.79
F2 P00734 1/20 0.72
PLAU P00749 1/20 0.72
PRSS1 P07477 1/20 0.72
PRSS2 P07478 1/20 0.72
F7 P08709 1/20 0.72
PRSS3 P35030 1/20 0.72

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
SCHEMBL478493 1.00 F11 (0.92) F11F10PLGPLATKLKB1
SCHEMBL478491 1.00 F11 (0.92) F11F10PLGPLATKLKB1
SCHEMBL478287 0.95 F11 (1.00) F11F10PLGPLATKLKB1
SCHEMBL478286 0.95 F11 (1.00) F11F10PLGPLATKLKB1
SCHEMBL478782 0.95 F11 (1.00) F11F10PLGPLATKLKB1
SCHEMBL478781 0.95 F11 (1.00) F11F10PLGPLATKLKB1
SCHEMBL478500 0.94 F11 (0.90) F11F10PLGPLATKLKB1
SCHEMBL478499 0.94 F11 (0.90) F11F10PLGPLATKLKB1
SCHEMBL478993 0.94 F11 (1.00) F11F10PLGPLATKLKB1
SCHEMBL478992 0.94 F11 (1.00) F11F10PLGPLATKLKB1

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
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed