SCHEMBL5332899

SCHEMBL5332899

COc1ccc(S(=O)(=O)n2c(C)c(SCCN(C)C)c3cc(OC)ccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.60
PTGDR Q13258 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1E P28566 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL5332004 0.96 HTR6 (0.58) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5332687 0.94 HTR6 (0.56) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5331612 0.94 HTR6 (0.56) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5330693 0.93 HTR6 (0.53) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5327800 0.92 HTR6 (0.55) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5425733 0.92 PTGDR2 (0.58) HTR6PTGDRPTGDR2
SCHEMBL5327989 0.92 HTR6 (0.52) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5331879 0.89 HTR6 (0.55) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5326862 0.89 HTR6 (0.49) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5329957 0.87 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B

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
WO-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO claimed
WO-2007020653-A1 THIOETHER DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed