SCHEMBL5329599

SCHEMBL5329599

COc1ccc(S(=O)(=O)n2cc(SCC(C)(C)N)c3cc(OC)ccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.53
PPARG P37231 3/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
HTR2A P28223 1/20 0.48
HTR1A P08908 2/20 0.47
DRD2 P14416 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR1E P28566 1/20 0.47
HTR1F P30939 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL4487054 0.81 PPARG (0.65) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5326101 0.80 HTR6 (0.68) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL4478083 0.78 PPARG (0.55) HTR6PPARGPPARDPPARA
SCHEMBL4472468 0.76 HTR6 (0.61) HTR6PPARGPPARDPPARAHTR2A
SCHEMBL13240012 0.76 HTR6 (0.68) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5327662 0.76 HTR6 (0.70) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5330301 0.75 HTR6 (0.60) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL5325858 0.75 HTR6 (0.60) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL5326098 0.75 HTR6 (0.57) HTR6PPARGPPARDPPARAHTR2A
SCHEMBL5328031 0.74 HTR6 (0.69) 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 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 claimed