SCHEMBL5326862

SCHEMBL5326862

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.49
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPK10 P53779 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 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
SCHEMBL5333545 0.91 HTR6 (0.41) HTR6PTGDR2LMNAPOLBSMN1; SMN2
SCHEMBL5331263 0.90 PTGDR2 (0.44) HTR6PTGDRPTGDR2
SCHEMBL5332899 0.89 HTR6 (0.60) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5425733 0.88 PTGDR2 (0.58) HTR6PTGDRPTGDR2
SCHEMBL5326887 0.87 HTR6 (0.40) HTR6PPARGPPARDPPARAPTGDR
SCHEMBL5332687 0.86 HTR6 (0.56) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5327989 0.86 HTR6 (0.52) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5332248 0.86 HTR6 (0.44) HTR6PTGDRPTGDR2LMNAGAA
SCHEMBL5332004 0.85 HTR6 (0.58) HTR6PTGDRPTGDR2HTR1ADRD2
SCHEMBL5330693 0.85 HTR6 (0.53) HTR6PTGDRPTGDR2HTR1ADRD2

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