SCHEMBL9867504

SCHEMBL9867504

NC(=NCCCSc1ccccc1)NCCCc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.40
HRH2 P25021 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH1 P35367 1/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9865151 0.95 EBP (0.41) HRH4HRH2HRH3HRH1EBP
SCHEMBL9867202 0.90 HRH4 (0.37) HRH4HRH2HRH3EBPSIGMAR1
SCHEMBL9866660 0.88 NPY1R (0.37)
SCHEMBL9866281 0.85 SIGMAR1 (0.41) HRH4HRH2HRH3SIGMAR1
SCHEMBL9867357 0.85 SCN5A (0.43) HRH4HRH3
SCHEMBL9867126 0.84 HRH4 (0.47) HRH4HRH2HRH3
SCHEMBL9877143 0.84 HPGD (0.37) HRH4HRH2HRH3EBPSIGMAR1
SCHEMBL9866256 0.84 HRH4 (0.47) HRH4HRH2HRH3
SCHEMBL11039968 0.83 SIGMAR1 (0.41) HRH4HRH2HRH3SIGMAR1
SCHEMBL11039962 0.83 SIGMAR1 (0.41) HRH4HRH2HRH3SIGMAR1

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