SCHEMBL10400554

SCHEMBL10400554

O=C(O)CCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.60
HRH2 P25021 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL10666682 0.94 FAAH (0.61) FAAHHRH2HRH3
SCHEMBL9297521 0.92 FAAH (0.59) FAAHHRH2HRH3
SCHEMBL11102139 0.91 FAAH (0.52) FAAHHRH2HRH3
SCHEMBL10969633 0.88 HRH2 (0.57) FAAHHRH2HRH3
Hydrochloric Acid SCHEMBL10401064 0.87 HRH2 (0.56) FAAHHRH2HRH3
SCHEMBL13293358 0.86 ITGB3 (0.61) FAAHHRH2HRH3CYP2D6CYP2C9
SCHEMBL11258143 0.86 HRH2 (0.60) FAAHHRH2HRH3
SCHEMBL10969963 0.85 HRH2 (0.59) FAAHHRH2HRH3
SCHEMBL11483112 0.84 HRH2 (0.56) FAAHHRH2HRH3
Oxalic Acid SCHEMBL28709753 0.84 HRH2 (0.64) FAAHHRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4681883-A Histamine H2 -antagonist oxazole and thiazole derivatives and compositions therefor SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-07-21 US disclosed
EP-0181163-A2 Heterocyclic phenoxy derivatives having an antihistamine H2 activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
US-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 US disclosed
EP-0016565-B1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-05-23 EP disclosed
EP-0016565-A1 1,2,4-Triazole derivatives, processes for their production and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1980-10-01 EP disclosed