SCHEMBL6977115

SCHEMBL6977115

CC(=O)C=Cc1cccc(C#N)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P4HB P07237 15/20 0.62
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
FBP1 P09467 1/20 0.54

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
SCHEMBL6977108 1.00 P4HB (0.62) P4HBMAOAMAOBGLATDP1
SCHEMBL7339707 0.86 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL8497675 0.86 P4HB (0.66) P4HBMAOAMAOBFBP1
SCHEMBL30745014 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL1225943 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL1225940 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
SCHEMBL30912094 0.85 P4HB (0.64) P4HBMAOAMAOBFBP1
Hydrochloric Acid SCHEMBL4101473 0.83 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL4101470 0.83 P4HB (0.62) P4HBMAOAMAOBFBP1
SCHEMBL4359926 0.83 P4HB (0.62) P4HBMAOAMAOBFBP1

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 7 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
US-5037824-A Cardiotonic, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-08-06 US disclosed
EP-0387070-A2 N-Containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-12 EP disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed