SCHEMBL4794709

SCHEMBL4794709

COc1ccc2c(c1)c(CO)cn2S(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.70
CYP3A4 P08684 3/20 0.70
CYP2D6 P10635 3/20 0.70
HTR2A P28223 1/20 0.70
PPARG P37231 4/20 0.62
PPARD Q03181 4/20 0.62
PPARA Q07869 4/20 0.62
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR1E P28566 1/20 0.55
HTR1F P30939 1/20 0.55
HTR7 P34969 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL950479 0.91 PPARG (0.73) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL4792918 0.89 HTR6 (0.70) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL948776 0.87 HTR6 (0.72) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL3036477 0.86 PPARG (0.84) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL946607 0.86 HTR6 (0.69) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL948639 0.86 HTR6 (0.69) HTR6CYP3A4CYP2D6PPARGPPARD
SCHEMBL950573 0.86 HTR6 (0.75) HTR6PPARGPPARDPPARAHTR1A
SCHEMBL3036342 0.86 PPARG (0.70) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL13239954 0.85 HTR6 (0.66) HTR6CYP3A4CYP2D6HTR2APPARG
SCHEMBL947550 0.85 HTR6 (0.60) HTR6CYP3A4CYP2D6HTR2A

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
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed