SCHEMBL7206526

SCHEMBL7206526

CNCc1cc(C#N)ccc1Oc1ccc(SC)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.63
KCNH2 Q12809 6/20 0.63
HTR2A P28223 6/20 0.63
HRH3 Q9Y5N1 8/20 0.62
SLC6A3 Q01959 6/20 0.62
SLC6A2 P23975 5/20 0.62

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
SCHEMBL6952015 0.87 SLC6A4 (0.62) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL16453433 0.83 LRRK2 (0.48) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL6955582 0.83 SLC6A4 (0.56) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL6943332 0.83 SLC6A4 (0.69) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL6151915 0.83 SLC6A4 (0.68) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL6947444 0.81 SLC6A4 (0.72) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL7066916 0.79 SLC6A4 (0.67) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL8365509 0.79 SLC6A4 (0.58) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL15080265 0.78 SLC6A4 (0.56) SLC6A4KCNH2HTR2AHRH3SLC6A3
SCHEMBL3361902 0.78 SLC6A4 (0.76) SLC6A4KCNH2HTR2AHRH3SLC6A3

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
US-6610747-B2 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-08-26 US disclosed