SCHEMBL9543368

SCHEMBL9543368

C1CCN(CCCOCCOCCCN2CCCC2)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.56
KCNH2 Q12809 3/20 0.53
SLC6A2 P23975 2/20 0.53
HRH1 P35367 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A4 P31645 1/20 0.53
SLC6A3 Q01959 1/20 0.53
CACNA1C Q13936 1/20 0.53
SCN5A Q14524 1/20 0.53
CHRM4 P08173 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7436131 0.97 HRH3 (0.58) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL5281401 0.95 HRH3 (0.62) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL9543313 0.92 HRH3 (0.59) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL7346055 0.90 HRH3 (0.55) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL21037024 0.90 HRH3 (0.62) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL10914988 0.89 HRH3 (0.52) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL9544504 0.89 HRH3 (0.52) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL9542003 0.89 HRH3 (0.52) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL12371263 0.89 HRH3 (0.49) HRH3KCNH2SLC6A2HRH1CHRM2
SCHEMBL12371265 0.89 HRH3 (0.49) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4405582-A Process for selective removal of H2 S from mixtures containing H22 using diaminoether solutions EXXON RESEARCH AND ENGINEERING CO. (US) 1983-09-20 US claimed
EP-0087856-A1 A process for the removal of H2S from gaseous mixtures using diaminoethers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-09-07 EP claimed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
WO-1993010883-A1 LEAN ACID GAS ENRICHMENT WITH SELECTIVE HINDERED AMINES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-06-10 WO disclosed
EP-0087856-B1 A PROCESS FOR THE REMOVAL OF H2S FROM GASEOUS MIXTURES USING DIAMINOETHERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-02-26 EP disclosed
US-4405582-A Process for selective removal of H2 S from mixtures containing H22 using diaminoether solutions EXXON RESEARCH AND ENGINEERING CO. (US) 1983-09-20 US disclosed
EP-0087856-A1 A process for the removal of H2S from gaseous mixtures using diaminoethers EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-09-07 EP disclosed