SCHEMBL9574835

SCHEMBL9574835

N#CCCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.55
▸ HRH3 Q9Y5N1 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ THPO P40225 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HIF1A Q16665 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
SCHEMBL10744580 0.99 HRH2 (0.53) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL11268821 0.96 HRH2 (0.54) HRH2HRH3SMN1; SMN2TP53CYP1A2
SCHEMBL10401250 0.96 HRH2 (0.54) HRH2HRH3SMN1; SMN2TP53CYP1A2
SCHEMBL10667188 0.95 HRH2 (0.53) HRH2HRH3
SCHEMBL11263724 0.95 HRH2 (0.53) HRH2HRH3SMN1; SMN2TP53CYP1A2
SCHEMBL11271145 0.95 HRH2 (0.52) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL11263720 0.94 HRH2 (0.52) HRH2HRH3SMN1; SMN2TP53CYP1A2
SCHEMBL10401022 0.93 HRH2 (0.53) HRH2HRH3SMN1; SMN2KDM4EALDH1A1
SCHEMBL11100387 0.91 HRH2 (0.50) HRH2HRH3
SCHEMBL10663929 0.86 HRH3 (0.59) HRH3SMN1; SMN2KDM4EALDH1A1TSHR

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5212187-A Antihistamines ZYMA SA (CH) 1993-05-18 — — US disclosed
EP-0526395-A1 Arylalkylamine derivatives, process for their preparation and pharmaceutical compositions containing them Zyma SA (CH) 1993-02-03 — — EP 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-4808589-A Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-28 — — US disclosed
EP-0134096-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-02-01 — — EP disclosed
US-4767769-A HISTAMINE-H2 ANTAGONISTS THE BOOTS COMPANY PLC (GB) 1988-08-30 — — US disclosed
US-4764612-A SELECTIVE HISTAMINE H2-ANTAGONIST GLAXO GROUP LIMITED (GB) 1988-08-16 — — 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
EP-0086647-B1 PYRIMIDONE COMPOUNDS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-09-17 — — EP disclosed
EP-0173377-A2 Pyrimidone compounds, their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1986-03-05 — — EP disclosed
EP-0172631-A1 Therapeutic agents The Boots Company PLC (GB) 1986-02-26 — — EP disclosed
US-4536508-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1985-08-20 — — US disclosed
EP-0134096-A2 Aminopyrimidinone derivatives as histamine H2-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-03-13 — — EP 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
US-4442110-A ANTISECRETORY, ANTIALLERGEN, ANTIINFLAMMATORY, ANTIULCER GLAXO GROUP LIMITED (GB) 1984-04-10 — — US disclosed
EP-0087274-A2 Pyrimidone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-08-31 — — EP disclosed
EP-0086647-A2 Pyrimidone compounds, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1983-08-24 — — EP disclosed
EP-0050407-A1 3,5-Disubstituted-1,2,4-triazole compounds, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1982-04-28 — — EP disclosed
US-4318913-A 1,2,4-Triazole-3,5-diamine derivatives GLAXO GROUP LIMITED (GB) 1982-03-09 — — US disclosed
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