SCHEMBL6967752

SCHEMBL6967752

NC(Cc1ccc(Cc2c[nH]cn2)cc1)=NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.42
GRIN1 Q05586 6/20 0.42
HIF1A Q16665 1/20 0.41
NOS2 P35228 1/20 0.38
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
SLC22A2 O15244 1/20 0.34
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6972175 0.89 TAAR1 (0.40) GRIN2BGRIN1HRH4HRH3ATP4A
SCHEMBL6973014 0.85 GRIN2B (0.55) GRIN2BGRIN1NOS2
SCHEMBL6973473 0.83 GRIN2B (0.39) GRIN2BGRIN1GRIN2DGRIN3BGRIN2A
SCHEMBL649075 0.78 ALDH1A1 (0.46) HRH4HRH3ALDH1A1
SCHEMBL6974030 0.78 TAAR1 (0.40) GRIN2BGRIN1HRH4HRH3ATP4A
SCHEMBL6831177 0.77 GRIN2B (0.66) GRIN2BGRIN1HIF1ANOS2GRIN2D
SCHEMBL6968578 0.77 GRIN2B (0.46) GRIN2BGRIN1SIGMAR1HRH4HRH3
Hydrochloric Acid SCHEMBL4737688 0.75 GRIN2B (0.63) GRIN2BGRIN1HIF1ANOS2GRIN2D
SCHEMBL6961034 0.75 GRIN2B (0.57) GRIN2BGRIN1HIF1ASLC22A2HRH4
SCHEMBL6973872 0.73 GRIN2B (0.40) GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed