SCHEMBL5281401

SCHEMBL5281401

C1CCN(CCCOCCCN2CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.62
KCNH2 Q12809 3/20 0.58
SLC6A2 P23975 2/20 0.58
HRH1 P35367 2/20 0.58
CHRM2 P08172 1/20 0.58
ADRA2C P18825 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CACNA1C Q13936 1/20 0.58
SCN5A Q14524 1/20 0.58
CHRM4 P08173 1/20 0.56
HTR2C P28335 1/20 0.56
HTR7 P34969 1/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ACHE P22303 1/20 0.48
RAD52 P43351 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
SCHEMBL9543313 0.97 HRH3 (0.59) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL7436131 0.97 HRH3 (0.58) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL9543368 0.95 HRH3 (0.56) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL21037024 0.90 HRH3 (0.62) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL7346055 0.90 HRH3 (0.55) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL24059343 0.89 HRH3 (0.60) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL7887990 0.89 HRH3 (0.60) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL8361918 0.89 HRH3 (0.60) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL18024038 0.89 HRH3 (0.53) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL15510652 0.89 HRH3 (0.53) HRH3KCNH2SLC6A2HRH1CHRM2

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
EP-1863486-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-12 EP disclosed
WO-2006103537-A2 TREATMENT OF EPILEPSY WITH NON-IMIDAZOLE ALKYLAMINES HISTAMINE H3-RECEPTOR LIGANDS BIOPROJET (FR) 2006-10-05 WO disclosed
US-4146509-A ORGANIC AMMONIUM COMPOUNDS USED AS POLYMERIZATION CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed