SCHEMBL6983643

SCHEMBL6983643

COC(=O)/C=C\c1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P4HB P07237 15/20 0.64
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
TTR P02766 1/20 0.53
APP P05067 1/20 0.53
PTPN1 P18031 1/20 0.50
FBP1 P09467 1/20 0.50

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
SCHEMBL24313 1.00 P4HB (0.64) P4HBMAOAMAOBTTRAPP
SCHEMBL24312 1.00 P4HB (0.64) P4HBMAOAMAOBTTRAPP
SCHEMBL9779649 0.85 P4HB (0.61) P4HBMAOAMAOBFBP1
SCHEMBL9779652 0.85 P4HB (0.61) P4HBMAOAMAOBFBP1
SCHEMBL7363691 0.84 P4HB (0.60) P4HBMAOAMAOB
SCHEMBL7363693 0.84 P4HB (0.60) P4HBMAOAMAOB
SCHEMBL2136561 0.84 P4HB (0.56) P4HBMAOAMAOBFBP1
SCHEMBL16222087 0.84 PDCD1 (0.61) P4HBMAOAMAOBTTR
SCHEMBL2136568 0.84 P4HB (0.56) P4HBMAOAMAOBFBP1
SCHEMBL6163160 0.84 PDCD1 (0.61) P4HBMAOAMAOBTTR

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-0934265-B1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-01-02 EP disclosed
US-6057342-A INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR XA, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS DUPONT PHARMACEUTICAL CO. (US) 2000-05-02 US disclosed
EP-0934265-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-08-11 EP disclosed
WO-1998006694-A1 AMIDINOPHENYL-PYRROLIDINES, -PYRROLINES, AND -ISOXAZOLIDINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1998-02-19 WO disclosed