SCHEMBL9865348

SCHEMBL9865348

O=C(NC(=NCCCc1c[nH]cn1)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.53
SCN5A Q14524 7/20 0.51
SCN2A Q99250 7/20 0.51
HRH4 Q9H3N8 2/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 1/20 0.42
MLYCD O95822 1/20 0.40

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
SCHEMBL9866822 0.97 HRH2 (0.52) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL9867162 0.97 HRH2 (0.52) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL9866817 0.97 HRH2 (0.52) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL9867137 0.96 HRH2 (0.49) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL9865344 0.96 HRH2 (0.49) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL11080978 0.96 HRH2 (0.47) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL11080965 0.92 HRH2 (0.43) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL11080973 0.92 HRH2 (0.43) HRH2SCN5ASCN2AHRH4NPC1
SCHEMBL10875814 0.89 HRH2 (0.49) HRH2HRH4NPC1RAB9A
SCHEMBL10875704 0.88 PTAFR (0.51) HRH2SCN5ASCN2AHRH4

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