SCHEMBL6662269

SCHEMBL6662269

O=[N+]([O-])c1cc[n+]([O-])c(NCCCOc2cccc(CN3CCCCC3)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.55
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL10668536 0.87 HRH2 (0.61) HRH2HRH3
SCHEMBL10667713 0.85 HRH2 (0.37) HRH2HRH3
SCHEMBL10401171 0.83 HRH2 (0.54) HRH2HRH3
SCHEMBL6662627 0.83 MEN1 (0.41)
SCHEMBL6657196 0.80 MEN1 (0.57)
SCHEMBL6656820 0.80 DRD2 (0.54)
SCHEMBL6662210 0.80 MAPT (0.56)
SCHEMBL6660189 0.79 DRD2 (0.46) HRH3
SCHEMBL9514920 0.78
SCHEMBL6659094 0.77 MAOB (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004004715-A2 NOVEL DELTA OPIOID RECEPTOR LIGANDS GLAXOSMITHKLINE SPA (IT) 2004-01-15 WO disclosed
US-4952589-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-08-28 US disclosed
EP-0181163-B1 HETEROCYCLIC PHENOXY DERIVATIVES HAVING AN ANTIHISTAMINE H2 ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed
US-4738969-A Substituted aminopyridones and aminoquinolones having histamine H2 -receptor blocking activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-04-19 US disclosed
US-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 US disclosed
US-4608380-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-08-26 US disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
EP-0143630-A2 Chemical compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-05 EP disclosed