SCHEMBL5325568

SCHEMBL5325568

C#CCCCCOCCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 14/20 0.44
SLC6A2 P23975 2/20 0.42
HRH1 P35367 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
CHRM4 P08173 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL15485534 0.85 HRH3 (0.61) MAPTHRH3HRH1SIGMAR1ATM
SCHEMBL15740982 0.82 HRH3 (0.56) MAPTHRH3SIGMAR1
SCHEMBL15485592 0.80 HRH3 (0.52) MAPTHRH3SIGMAR1
SCHEMBL5281401 0.78 HRH3 (0.62) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL21037024 0.78 HRH3 (0.62) MAPTHRH3SLC6A2HRH1CHRM2
SCHEMBL7346055 0.78 HRH3 (0.55) MAPTHRH3SLC6A2HRH1CHRM2
SCHEMBL24059343 0.78 HRH3 (0.60) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL8361918 0.78 HRH3 (0.60) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL7887990 0.78 HRH3 (0.60) HRH3SLC6A2HRH1CHRM2ADRA2C
SCHEMBL5327291 0.77 HRH3 (0.44) MAPTHRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0827423-B1 FUNCTIONALIZED CHAIN EXTENDED INITIATORS FOR ANIONIC POLYMERIZATION FMC CORP (US) 2007-12-12 EP claimed