SCHEMBL7363315

SCHEMBL7363315

COC(=O)CC(CCc1cccc(C#N)c1)c1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.60
F2 P00734 14/20 0.60
PRSS1 P07477 10/20 0.54
KCNA5 P22460 2/20 0.47
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL7361040 0.92 F10 (0.58) F10F2PRSS1KCNA5
SCHEMBL7362516 0.89 F10 (0.67) F10F2PRSS1KCNA5
SCHEMBL7360285 0.87 F10 (0.71) F10F2PRSS1
SCHEMBL7361243 0.84 F10 (0.69) F10F2PRSS1KCNA5
SCHEMBL7360144 0.82 F10 (0.61) F10F2PRSS1
SCHEMBL7364249 0.82 F2 (0.62) F10F2PRSS1KCNA5
SCHEMBL7365982 0.82 F2 (0.58) F10F2PRSS1KCNA5FFAR1
SCHEMBL7367197 0.81 F2 (0.71) F10F2PRSS1
SCHEMBL7361112 0.79 HTT (0.54) F10F2PRSS1KCNA5
SCHEMBL7686273 0.79 KCNA5 (0.47) F10F2PRSS1KCNA5FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed