SCHEMBL8006534

SCHEMBL8006534

CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)c2cc(-c3ccc(NC(=O)OC)cc3)cnn2)n1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.77
KLKB1 P03952 7/20 0.77
F10 P00742 5/20 0.77
PLG P00747 4/20 0.77
PROC P04070 2/20 0.77
PLAT P00750 4/20 0.64
F9 P00740 2/20 0.63
F2 P00734 1/20 0.59
PLAU P00749 1/20 0.59
PRSS1 P07477 1/20 0.59
PRSS2 P07478 1/20 0.59
F7 P08709 1/20 0.59
PRSS3 P35030 1/20 0.59

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
SCHEMBL478579 1.00 F11 (0.77) F11KLKB1F10PLGPROC
SCHEMBL478577 1.00 F11 (0.77) F11KLKB1F10PLGPROC
SCHEMBL478601 0.94 F11 (0.69) F11KLKB1F10PLGPROC
SCHEMBL12945537 0.93 F11 (0.67) F11KLKB1F10PLGPROC
SCHEMBL478426 0.91 F11 (0.78) F11KLKB1F10PLGPROC
SCHEMBL478423 0.91 F11 (0.78) F11KLKB1F10PLGPROC
SCHEMBL8006336 0.91 F11 (0.78) F11KLKB1F10PLGPROC
SCHEMBL478717 0.88 F11 (0.78) F11KLKB1F10PLGPROC
SCHEMBL478718 0.88 F11 (0.78) F11KLKB1F10PLGPROC
SCHEMBL8005631 0.87 F11 (1.00) F11KLKB1F10PLGPROC

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-B1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed
WO-2009114677-A1 PYRIDAZINE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-17 WO disclosed