SCHEMBL5331844

SCHEMBL5331844

[CH2]C[S+]([O-])c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.56
PPARG P37231 2/20 0.55
PPARD Q03181 2/20 0.55
PPARA Q07869 2/20 0.55
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR1E P28566 1/20 0.49
HTR1F P30939 1/20 0.49
HTR7 P34969 1/20 0.49
DRD3 P35462 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL5327454 0.92 HTR6 (0.58) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5304701 0.91 HTR6 (0.49) HTR6PPARGPPARDPPARACYP3A4
SCHEMBL5327431 0.88 HTR6 (0.58) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5371262 0.84 HTR6 (0.67) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5324133 0.84 HTR6 (0.57) HTR6CYP3A4CYP2D6
SCHEMBL5332694 0.79 HTR6 (0.49) HTR6DRD2HTR7
SCHEMBL5465599 0.78 HTR6 (0.58) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5408850 0.78 HTR6 (0.57) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4472468 0.76 HTR6 (0.61) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5328799 0.76 HTR6 (0.56) HTR6CYP3A4CYP2D6

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