SCHEMBL4437803

SCHEMBL4437803

Cc1cc2cc(CCOCCCN3CC(O)C3)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.69
HTR1A P08908 1/20 0.35
HRH3 Q9Y5N1 6/20 0.33
SLC6A2 P23975 2/20 0.32
HRH1 P35367 2/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
ACHE P22303 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL21900333 0.88 SIGMAR1 (0.71) SIGMAR1HTR1AHRH3SLC6A2HRH1
T-817 SCHEMBL30574118 0.82 SIGMAR1 (1.00) SIGMAR1HRH3SLC6A2HRH1CHRM2
T-817 SCHEMBL27725 0.82 SIGMAR1 (1.00) SIGMAR1HRH3SLC6A2HRH1CHRM2
T-817 SCHEMBL47926 0.81 SIGMAR1 (0.98) SIGMAR1HTR1AHRH3SLC6A2HRH1
SCHEMBL13505898 0.79 SIGMAR1 (0.68) SIGMAR1HTR1AHRH3SLC6A2HRH1
Hydrochloric Acid SCHEMBL5206570 0.78 SIGMAR1 (0.67) SIGMAR1HTR1AHRH3SLC6A2HRH1
SCHEMBL48099 0.77 SIGMAR1 (0.83) SIGMAR1HTR1AHRH3SLC6A2HRH1
SCHEMBL27025 0.77 SIGMAR1 (0.91) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL47936 0.76 SIGMAR1 (0.81) SIGMAR1HTR1AHRH3SLC6A2HRH1
Hydrochloric Acid SCHEMBL47954 0.76 SIGMAR1 (0.89) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348022-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-ol or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2013-01-09 EP disclosed
EP-2248809-B1 Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives TOYAMA CHEMICAL CO LTD (JP) 2012-05-09 EP disclosed
EP-2210884-B1 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid or salts thereof TOYAMA CHEMICAL CO LTD (JP) 2012-02-22 EP disclosed
EP-2248809-A1 Alkyl-3-[2-(benzo[b]thiophen-5-yl)-ethoxy]-propanoates as intermediates in the production of Azetidin-3-ol derivatives TOYAMA CHEMICAL CO., LTD. (JP) 2010-11-10 EP disclosed
EP-2210884-A2 Process for production of 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propionic acid and 1-(3-(2-(1-benzothiophen-5-yl)-ethoxy)propyl)azetidin-3-ol as well as salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-28 EP disclosed
EP-1864978-A1 PROCESS FOR PRODUCTION OF 1-(3-(2-(1-BENZOTHIOPHEN-5-YL)- ETHOXY)PROPYL)AZETIDIN-3-OL OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-12-12 EP disclosed