SCHEMBL3908237

SCHEMBL3908237

N#Cc1cccc(/C=C/CBr)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
P4HB P07237 10/20 0.49
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
GSK3B P49841 1/20 0.44
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40

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
SCHEMBL3908239 1.00 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL2774364 0.82 FBP1 (0.65) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL1687910 0.82 FBP1 (0.65) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL6166447 0.82 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL5864935 0.82 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL5783464 0.82 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL924068 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL924069 0.82 FBP1 (0.53) FBP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6165260 0.82 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D
SCHEMBL6165255 0.82 FBP1 (0.53) FBP1P4HBMAOAMAOBGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed