SCHEMBL6973014

SCHEMBL6973014

NC(=NCc1ccccc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 13/20 0.55
GRIN1 Q05586 4/20 0.55
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL6955812 0.89 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6973872 0.89 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL6961034 0.88 GRIN2B (0.57) GRIN2BGRIN1PLA2G10PLA2G2A
SCHEMBL6965898 0.85 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6972539 0.85 GRIN2B (0.57) GRIN2BGRIN1
SCHEMBL6967752 0.85 GRIN2B (0.42) GRIN2BGRIN1NOS2
SCHEMBL6970991 0.81 GRIN2B (0.51) GRIN2BGRIN1
SCHEMBL649075 0.78 ALDH1A1 (0.46)
SCHEMBL6968091 0.78 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL6969109 0.76 GRIN2B (0.55) 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 4 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
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP disclosed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO disclosed