SCHEMBL6166215

SCHEMBL6166215

CSc1ccc(Oc2ccncc2CN)cc1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.71
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43
MAOA P21397 1/20 0.42
AOC3 Q16853 3/20 0.38
AOC1 P19801 2/20 0.38
MAOB P27338 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
SCHEMBL5878563 0.83 SLC6A4 (0.67) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5878517 0.83 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5878706 0.79 SLC6A4 (0.62) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5878691 0.74 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL5878607 0.74 SLC6A4 (0.80) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6152181 0.73 SLC6A4 (0.72) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL31119316 0.72 CYP1A2 (0.51) SLC6A4SLC6A2SLC6A3AOC3AOC1
SCHEMBL4483018 0.72 CYP1A2 (0.51) SLC6A4SLC6A2SLC6A3AOC3AOC1
SCHEMBL11485483 0.71 SLC6A4 (0.51) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL6160314 0.71 SLC6A4 (0.46) SLC6A4HTR2AKCNH2SLC6A2SLC6A3

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