SCHEMBL6984944

SCHEMBL6984944

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HB P07237 12/20 0.49
FBP1 P09467 1/20 0.49
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41

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
Methoxymethane SCHEMBL6984939 0.83 P4HB (0.51) P4HBFBP1PDCD1CD274MAOA
Methoxymethane SCHEMBL6984949 0.83 P4HB (0.51) P4HBFBP1PDCD1CD274MAOA
SCHEMBL29137842 0.82 APP (0.49)
SCHEMBL924068 0.81 FBP1 (0.53) P4HBFBP1PDCD1CD274GRIN2D
SCHEMBL924069 0.81 FBP1 (0.53) P4HBFBP1PDCD1CD274GRIN2D
SCHEMBL920739 0.79 FBP1 (0.50) P4HBFBP1PDCD1CD274GRIN2D
SCHEMBL920740 0.79 FBP1 (0.50) P4HBFBP1PDCD1CD274GRIN2D
SCHEMBL2774364 0.78 FBP1 (0.65) P4HBFBP1MAOAMAOBGRIN2D
SCHEMBL1687910 0.78 FBP1 (0.65) P4HBFBP1MAOAMAOBGRIN2D
SCHEMBL4120811 0.78 FBP1 (0.53) P4HBFBP1PDCD1CD274MAOA

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