SCHEMBL10401022

SCHEMBL10401022

N#CCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HRH3 Q9Y5N1 2/20 0.52
▸ FAAH O00519 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ MTOR P42345 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL9574835 0.93 HRH2 (0.55) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL10401250 0.92 HRH2 (0.54) HRH2SMN1; SMN2HRH3TP53CYP1A2
SCHEMBL11268821 0.92 HRH2 (0.54) HRH2SMN1; SMN2HRH3TP53CYP1A2
SCHEMBL10744580 0.92 HRH2 (0.53) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL11263724 0.91 HRH2 (0.53) HRH2SMN1; SMN2HRH3TP53CYP1A2
SCHEMBL10667188 0.91 HRH2 (0.53) HRH2HRH3
SCHEMBL11271145 0.91 HRH2 (0.52) HRH2SMN1; SMN2KDM4EALDH1A1HRH3
SCHEMBL11263720 0.90 HRH2 (0.52) HRH2SMN1; SMN2HRH3TP53CYP1A2
SCHEMBL11102139 0.90 FAAH (0.52) HRH2KDM4EALDH1A1HRH3FAAH
SCHEMBL10400338 0.86 SMN1; SMN2 (0.51) HRH2SMN1; SMN2ALDH1A1

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 6 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
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