SCHEMBL9544441

SCHEMBL9544441

C1CCN(CCOCCOCCN2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
KDM4E B2RXH2 3/20 0.47
HTT P42858 1/20 0.47
SLC6A2 P23975 2/20 0.46
HRH1 P35367 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2C P18825 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
SCN5A Q14524 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
CHRM4 P08173 1/20 0.44
HTR2C P28335 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 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
SCHEMBL9541684 1.00 HRH3 (0.57) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL9542084 1.00 HRH3 (0.57) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL24059343 0.97 HRH3 (0.60) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL9544504 0.97 HRH3 (0.52) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL9542003 0.97 HRH3 (0.52) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL10914988 0.97 HRH3 (0.52) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL8361918 0.97 HRH3 (0.60) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL7887990 0.97 HRH3 (0.60) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL7110089 0.94 HRH3 (0.55) HRH3KDM4EHTTSLC6A2HRH1
SCHEMBL501637 0.89 HRH3 (0.52) HRH3KDM4EHTTATML3MBTL1

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
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