SCHEMBL7207923

SCHEMBL7207923

CSc1cc(Oc2ccc(S(N)(=O)=O)cc2CN(C)C)ccc1C

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.85
SOS1 Q07889 2/20 0.61
SLC6A3 Q01959 5/20 0.60
SLC6A2 P23975 4/20 0.45

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
SCHEMBL30682154 0.92 SLC6A4 (1.00) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL930692 0.92 SLC6A4 (1.00) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL6943295 0.85 SLC6A4 (0.80) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7066491 0.85 SLC6A4 (1.00) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7065556 0.85 SLC6A4 (0.80) SLC6A4SOS1SLC6A3SLC6A2
Uk-390957 SCHEMBL931652 0.83 SLC6A4 (1.00) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7740609 0.83 SLC6A4 (0.82) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7737267 0.82 SLC6A4 (0.75) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7741857 0.81 SLC6A4 (0.76) SLC6A4SOS1SLC6A3SLC6A2
SCHEMBL7736779 0.81 SLC6A4 (0.79) SLC6A4SOS1SLC6A3SLC6A2

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