SCHEMBL6160314

SCHEMBL6160314

CSc1ccc(Oc2cc[n+]([O-])cc2CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.46
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 4/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 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
SCHEMBL5878984 0.84 SLC6A4 (0.57) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6152181 0.71 SLC6A4 (0.72) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6166215 0.71 SLC6A4 (0.71) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6151642 0.68 SLC6A4 (0.77) SLC6A4KCNH2SLC6A2SLC6A3HRH3
SCHEMBL6152048 0.67 SLC6A4 (0.55) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL920206 0.67 ST14 (0.61) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6332272 0.66 MEN1 (0.33)
SCHEMBL2774995 0.65 CYP1A1 (0.52) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
Uk-390957 SCHEMBL931652 0.63 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL4659274 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed