SCHEMBL6965898

SCHEMBL6965898

COc1ccc(CN=C(N)c2ccc(Cc3c[nH]cn3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.55
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN1 Q05586 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
SCHEMBL6973014 0.85 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL6973872 0.84 GRIN2B (0.40) GRIN2BGRIN1
SCHEMBL6955812 0.84 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL11049508 0.82 LTA4H (0.47)
SCHEMBL6972539 0.81 GRIN2B (0.57) GRIN2BGRIN1
SCHEMBL6972377 0.78 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL1232170 0.76 GRIN2B (0.70) GRIN2BMAPTL3MBTL1GAANPC1
SCHEMBL2104239 0.75 PTGIR (0.51) MAPT
SCHEMBL6965891 0.74 ALDH1A1 (0.42) MAPTL3MBTL1GAAKMT2ANPC1
SCHEMBL6968091 0.74 GRIN2B (0.53) GRIN2BHRH4HRH3GRIN1

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