SCHEMBL6187465

SCHEMBL6187465

COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1N1CCN(C)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.74
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 1/20 0.74
ALDH1A1 P00352 1/20 0.74
ALOX15 P16050 1/20 0.74
KMT2A Q03164 1/20 0.74
HTR1D P28221 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
CYP2D6 P10635 1/20 0.71
DRD2 P14416 1/20 0.71
HTR1B P28222 1/20 0.71
HTR2A P28223 1/20 0.71
HTR2C P28335 1/20 0.71
HTR1E P28566 1/20 0.71
HTR1F P30939 1/20 0.71
CYP2C19 P33261 1/20 0.71
HTR7 P34969 1/20 0.71
ADRA1B P35368 1/20 0.71

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
Hydrochloric Acid SCHEMBL6188811 0.99 HTR6 (0.73) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6186308 0.90 HTR6 (0.74) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6185696 0.90 HTR6 (0.74) HTR6KDM4EMEN1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6190076 0.89 HTR6 (0.72) HTR6KDM4EMEN1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6187649 0.89 HTR6 (0.72) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6970133 0.89 HTR6 (0.75) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6981000 0.88 HTR6 (0.77) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6187314 0.88 HTR6 (0.78) HTR6HTR7HTR4
SCHEMBL6185112 0.88 HTR6 (0.87) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6972553 0.87 HTR6 (0.79) HTR6KDM4EMEN1ALDH1A1ALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP claimed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US claimed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP claimed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO claimed
EP-0994862-B1 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2005-06-01 EP disclosed
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US disclosed
EP-0994862-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 2000-04-26 EP disclosed
WO-1999002502-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-01-21 WO disclosed