SCHEMBL11100387

SCHEMBL11100387

N#CCCCOc1cccc(CN2CCCCC2)c1.O=CCCCOc1cccc(CN2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.48

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 0.91 HRH2 (0.55) HRH2HRH3
SCHEMBL10661991 0.91 HRH2 (0.57) HRH2HRH3
SCHEMBL10744580 0.90 HRH2 (0.53) HRH2HRH3
SCHEMBL11268821 0.87 HRH2 (0.54) HRH2HRH3
SCHEMBL10401250 0.87 HRH2 (0.54) HRH2HRH3
SCHEMBL10667188 0.86 HRH2 (0.53) HRH2HRH3
SCHEMBL11263724 0.86 HRH2 (0.53) HRH2HRH3
SCHEMBL11271145 0.86 HRH2 (0.52) HRH2HRH3
SCHEMBL11263720 0.85 HRH2 (0.52) HRH2HRH3
SCHEMBL10401022 0.85 HRH2 (0.53) HRH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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