SCHEMBL3636031

SCHEMBL3636031

O=C(/C=C/c1cc(Cl)ccc1-c1nnn[nH]1)N[C@@H](Cc1ccccc1)C(=O)Nc1ncc(C(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F11 P03951 17/20 0.49
KLKB1 P03952 15/20 0.49
FFAR2 O15552 1/20 0.38
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
F10 P00742 1/20 0.35
PLAT P00750 1/20 0.35

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
SCHEMBL3633993 0.94 F11 (0.47) F11KLKB1FFAR2NOS2NOS3
SCHEMBL3634248 0.84 F11 (0.57) F11KLKB1
SCHEMBL3636481 0.83 F11 (0.54) F11KLKB1
SCHEMBL3635061 0.82 F11 (0.51) F11KLKB1NOS2NOS3NOS1
SCHEMBL3632133 0.82 F11 (0.58) F11KLKB1F10PLAT
SCHEMBL3633421 0.81 F11 (0.65) F11KLKB1F10PLAT
SCHEMBL3635449 0.81 F11 (0.57) F11KLKB1
SCHEMBL3635497 0.81 F11 (0.45) F11KLKB1
SCHEMBL3003352 0.80 F11 (0.71) F11KLKB1F10PLAT
SCHEMBL3003355 0.80 F11 (0.71) F11KLKB1F10PLAT

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