SCHEMBL6955812

SCHEMBL6955812

NC(=NCc1ccc(Cl)cc1)c1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.55
TAAR1 Q96RJ0 2/20 0.40
GRIN1 Q05586 1/20 0.40
HSP90AB1 P08238 1/20 0.37
MALT1 Q9UDY8 1/20 0.36

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
SCHEMBL6968091 0.89 GRIN2B (0.53) GRIN2BTAAR1GRIN1
SCHEMBL6973014 0.89 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6973872 0.88 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL6970991 0.87 GRIN2B (0.51) GRIN2BTAAR1GRIN1
SCHEMBL6965589 0.85 GRIN2B (0.44) GRIN2BTAAR1GRIN1
SCHEMBL6972175 0.85 TAAR1 (0.40) GRIN2BTAAR1GRIN1HSP90AB1
SCHEMBL6965898 0.84 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6972539 0.84 GRIN2B (0.57) GRIN2BGRIN1MALT1
SCHEMBL6968578 0.83 GRIN2B (0.46) GRIN2BTAAR1GRIN1HSP90AB1MALT1
SCHEMBL6968291 0.83 GRIN2B (0.42) GRIN2BGRIN1MALT1

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 12 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 claimed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US claimed
EP-0729459-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1996-09-04 EP claimed
WO-1995014007-A1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1995-05-26 WO claimed
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
EP-1028948-B1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-01-29 EP disclosed
EP-1028948-A1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2000-08-23 EP disclosed
US-6034251-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 2000-03-07 US disclosed
WO-1999024406-A1 PHENYL-ALKYL-IMIDAZOLES AS H3 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1999-05-20 WO 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