SCHEMBL7207167

SCHEMBL7207167

CN(C)Cc1cc(N)ccc1Oc1ccc2c(c1)CCS2

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.69
HTR2A P28223 5/20 0.57
KCNH2 Q12809 2/20 0.41
SOS1 Q07889 1/20 0.39
SLC6A3 Q01959 4/20 0.39
SLC6A2 P23975 3/20 0.39

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
SCHEMBL7065053 0.84 SLC6A4 (0.69) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL5878711 0.81 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
SCHEMBL7213331 0.74 SLC6A4 (0.54) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
SCHEMBL7206520 0.73 SLC6A4 (0.56) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
SCHEMBL7207921 0.73 SLC6A4 (0.53) SLC6A4HTR2AKCNH2SOS1SLC6A3
SCHEMBL7207929 0.73 SLC6A4 (0.53) SLC6A4HTR2AKCNH2SOS1SLC6A3
SCHEMBL5837285 0.73 SLC6A4 (1.00) SLC6A4HTR2AKCNH2SOS1SLC6A3
SCHEMBL5878837 0.72 SLC6A4 (0.83) SLC6A4HTR2AKCNH2SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL5837785 0.72 SLC6A4 (0.97) SLC6A4HTR2AKCNH2SOS1SLC6A3
SCHEMBL7207176 0.71 SLC6A4 (0.53) SLC6A4HTR2AKCNH2SOS1SLC6A3

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