SCHEMBL9867792

SCHEMBL9867792

N=C(NCCCOc1cccc(CN2CCCCC2)c1)NCCCc1c[nH]cn1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL9867200 0.96 HRH2 (0.53) HRH2HRH3
SCHEMBL9866679 0.89 PRMT5 (0.45) HRH2HRH3
SCHEMBL9867806 0.85 HRH2 (0.49) HRH2HRH3
SCHEMBL10372620 0.83
SCHEMBL10372224 0.82 HRH2 (0.48) HRH2HRH3
SCHEMBL9867217 0.81 HRH2 (0.48) HRH2HRH3
SCHEMBL9867097 0.80 KDM4E (0.50) HRH2HRH3
SCHEMBL9867094 0.80 KDM4E (0.48) HRH2HRH3
SCHEMBL9867092 0.80 KDM4E (0.48) HRH2HRH3
Iodide SCHEMBL10755616 0.80 HRH2 (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021431-A H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion HEUMANN PHARMA GMBH & CO. (DE) 1991-06-04 US disclosed
EP-0199845-B1 IMIDAZOLYLALKYLGUANIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1990-08-01 EP disclosed
EP-0199845-A1 Imidazolylalkylguanidin derivatives, process for their preparation and pharmaceutical compositions containing them HEUMANN PHARMA GMBH & CO (DE) 1986-11-05 EP disclosed