SCHEMBL3664261

SCHEMBL3664261

O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](CCc1ccccc1)CNc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 20/20 0.60
KLKB1 P03952 17/20 0.60
F2 P00734 1/20 0.55
F9 P00740 1/20 0.55
F10 P00742 1/20 0.55
PLG P00747 1/20 0.55
PLAU P00749 1/20 0.55
PLAT P00750 1/20 0.55
PROC P04070 1/20 0.55
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
F7 P08709 1/20 0.55
PRSS3 P35030 1/20 0.55

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
SCHEMBL3664262 1.00 F11 (0.60) F11KLKB1F2F9F10
SCHEMBL3664533 0.92 F11 (0.66) F11KLKB1F2F9F10
SCHEMBL3666526 0.88 F11 (0.57) F11KLKB1
SCHEMBL3665242 0.88 F11 (0.62) F11KLKB1
SCHEMBL3665239 0.88 F11 (0.62) F11KLKB1
SCHEMBL3666404 0.88 F11 (0.58) F11KLKB1
SCHEMBL3666399 0.88 F11 (0.58) F11KLKB1
SCHEMBL3663285 0.87 F11 (0.58) F11KLKB1
SCHEMBL3663288 0.87 F11 (0.58) F11KLKB1
SCHEMBL3669034 0.87 F11 (0.60) F11KLKB1F2F9F10

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