SCHEMBL7363693

SCHEMBL7363693

COC(=O)C=C(C=Cc1cccc(C#N)c1)c1cccc(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P4HB P07237 17/20 0.60
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47

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
SCHEMBL7363691 1.00 P4HB (0.60) P4HBMAOAMAOB
SCHEMBL7365006 0.92 P4HB (0.56) P4HBMAOAMAOB
SCHEMBL7362784 0.92 P4HB (0.50) P4HBMAOAMAOB
SCHEMBL7362783 0.92 P4HB (0.50) P4HBMAOAMAOB
SCHEMBL7365009 0.92 P4HB (0.56) P4HBMAOAMAOB
SCHEMBL7358436 0.85 MAPT (0.50) P4HBMAOAMAOB
SCHEMBL7358440 0.85 MAPT (0.50) P4HBMAOAMAOB
SCHEMBL24313 0.84 P4HB (0.64) P4HBMAOAMAOB
SCHEMBL6983643 0.84 P4HB (0.64) P4HBMAOAMAOB
SCHEMBL24312 0.84 P4HB (0.64) P4HBMAOAMAOB

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