SCHEMBL9865291

SCHEMBL9865291

CC(SCCNC(=NCCCc1c[nH]cn1)NC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.36
HRH4 Q9H3N8 9/20 0.36
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
HRH3 Q9Y5N1 4/20 0.33
HRH1 P35367 3/20 0.33
ADRB2 P07550 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
ADRB1 P08588 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL9865287 0.93 SCN5A (0.36) HRH2HRH4SCN5ASCN2A
SCHEMBL9865283 0.93 SCN5A (0.36) HRH2HRH4SCN5ASCN2A
SCHEMBL9866705 0.89 SCN5A (0.40) HRH2HRH4SCN5ASCN2A
SCHEMBL9866993 0.86 HRH2 (0.36) HRH2HRH4
SCHEMBL7431300 0.86 EPHX2 (0.46) HRH2HRH4
SCHEMBL9710076 0.86 EPHX2 (0.46) HRH2HRH4
SCHEMBL9866144 0.85 EPHX2 (0.43) HRH2HRH4SCN5ASCN2A
SCHEMBL9866766 0.85 HRH2 (0.49) HRH2HRH4HRH3HRH1
SCHEMBL11080978 0.84 HRH2 (0.47) HRH2HRH4SCN5ASCN2A
SCHEMBL9867649 0.83 LMNA (0.49) HRH2HRH4SCN5ASCN2A

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