SCHEMBL5331965

SCHEMBL5331965

COc1ccc(S(=O)(=O)n2cc([S+]([O-])CCN(C)C)c3ccccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.67
HTR1A P08908 2/20 0.53
DRD2 P14416 2/20 0.53
HTR1D P28221 2/20 0.53
HTR1B P28222 2/20 0.53
HTR1F P30939 2/20 0.53
HTR7 P34969 2/20 0.53
DRD3 P35462 2/20 0.53
HTR1E P28566 1/20 0.53

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
SCHEMBL5371262 0.89 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5465599 0.87 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5327825 0.85 HTR6 (0.52) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5327431 0.84 HTR6 (0.58) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5408850 0.82 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5331964 0.80 HTR6 (0.50) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5431957 0.79 HTR6 (0.54) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5331229 0.77 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL948005 0.76 TNF (0.69) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4776953 0.74 HTR6 (0.63) 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