SCHEMBL5332685

SCHEMBL5332685

COc1ccc2c(c1)c(SC(C)N(C)C)c(C)n2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.49
PTGDR Q13258 1/20 0.49
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 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
SCHEMBL5425727 0.94 PTGDR2 (0.56) HTR6PTGDR2PTGDR
SCHEMBL5332897 0.94 HTR6 (0.51) HTR6PTGDR2PTGDR
SCHEMBL5331999 0.92 HTR6 (0.51) HTR6PTGDR2PTGDR
SCHEMBL5331610 0.91 HTR6 (0.52) HTR6PTGDR2PTGDR
SCHEMBL5327797 0.90 HTR6 (0.49) HTR6PTGDR2PTGDRCYP3A4CYP2D6
SCHEMBL5407866 0.90 PTGDR2 (0.52) HTR6PTGDR2PTGDR
SCHEMBL5327986 0.87 HTR6 (0.52) HTR6PTGDR2PTGDR
SCHEMBL5420513 0.87 PTGDR2 (0.44) HTR6PTGDR2PTGDRCYP3A4CYP2D6
SCHEMBL5330691 0.86 HTR6 (0.46) HTR6PTGDR2PTGDR
SCHEMBL5328962 0.85 PTGDR2 (0.53) HTR6PTGDR2PTGDR

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