SCHEMBL13947150

SCHEMBL13947150

COc1ccc2c(c1)c(CCC=O)cn2S(=O)(=O)c1ccc(CNc2cc3ccccc3cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 18/20 0.52
▸ DRD2 P14416 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ HTR1D P28221 1/20 0.50
▸ HTR1B P28222 1/20 0.50
▸ HTR1E P28566 1/20 0.50
▸ HTR1F P30939 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ PPARG P37231 2/20 0.49
▸ PPARD Q03181 2/20 0.49
▸ PPARA Q07869 2/20 0.49

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
SCHEMBL3029543 0.88 PPARG (0.66) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL14605748 0.88 PPARG (0.56) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13946966 0.83 HTR6 (0.51) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13946965 0.83 HTR6 (0.49) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13947526 0.81 HTR6 (0.76) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13239837 0.79 HTR6 (0.67) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13239839 0.78 HTR6 (0.74) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13368565 0.78 HTR6 (0.59) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13239979 0.77 HTR6 (0.74) HTR6DRD2HTR7HTR1AHTR1D
SCHEMBL13368596 0.77 HTR6 (0.64) HTR6DRD2HTR7HTR1AHTR1D

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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