SCHEMBL3431719

SCHEMBL3431719

CNC(=O)Oc1ccc(-c2cc(C(CC(=O)N3CCC(O)C3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)c(Cl)nn2)cc1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.83
KLKB1 P03952 4/20 0.58
F10 P00742 2/20 0.58
PLG P00747 2/20 0.58
PLAT P00750 2/20 0.58
F2 P00734 1/20 0.58
F9 P00740 1/20 0.58
PLAU P00749 1/20 0.58
PROC P04070 1/20 0.58
PRSS1 P07477 1/20 0.58
PRSS2 P07478 1/20 0.58
F7 P08709 1/20 0.58
PRSS3 P35030 1/20 0.58

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
SCHEMBL478435 0.91 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478433 0.91 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478225 0.91 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL478224 0.91 F11 (1.00) F11KLKB1F10PLGPLAT
SCHEMBL938048 0.87 F11 (0.93) F11KLKB1F10PLGPLAT
SCHEMBL938047 0.87 F11 (0.93) F11KLKB1F10PLGPLAT
SCHEMBL478786 0.85 F11 (0.81) F11KLKB1F10PLGPLAT
SCHEMBL3433267 0.83 F11 (0.81) F11KLKB1F10PLGPLAT
SCHEMBL478318 0.82 F11 (0.91) F11KLKB1F10PLGPLAT
SCHEMBL478319 0.82 F11 (0.91) F11KLKB1F10PLGPLAT

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-2265601-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed