SCHEMBL13946966

SCHEMBL13946966

COc1ccc2c(c1)c(CCC=O)cn2S(=O)(=O)c1ccc(CNc2ccc3ncccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.51
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ HTR7 P34969 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ HTR1F P30939 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HTR2A P28223 1/20 0.44

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
SCHEMBL13946965 0.94 HTR6 (0.49) HTR6PPARGPPARDPPARADRD2
SCHEMBL3036876 0.89 PPARG (0.62) HTR6PPARGPPARDPPARADRD2
SCHEMBL15242233 0.85 HTR6 (0.54) HTR6PPARGPPARDPPARADRD2
SCHEMBL13947150 0.83 HTR6 (0.52) HTR6PPARGPPARDPPARADRD2
SCHEMBL3025310 0.83 PPARG (0.62) HTR6PPARGPPARDPPARADRD2
SCHEMBL13947526 0.77 HTR6 (0.76) HTR6PPARGPPARDPPARADRD2
SCHEMBL13239839 0.76 HTR6 (0.74) HTR6PPARGPPARDPPARADRD2
SCHEMBL13368565 0.75 HTR6 (0.59) HTR6PPARGPPARDPPARADRD2
SCHEMBL13239837 0.75 HTR6 (0.67) HTR6PPARGPPARDPPARADRD2
SCHEMBL13368596 0.75 HTR6 (0.64) HTR6PPARGPPARDPPARADRD2

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
US-7491831-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-02-17 — — US disclosed
US-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 — — US disclosed
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