SCHEMBL6186417

SCHEMBL6186417

COc1ccc(S(=O)(=O)N2CCc3cc(C(F)(F)F)ccc32)cc1N1CCN(C)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.61
DRD3 P35462 2/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR2B P41595 1/20 0.52
HTR4 Q13639 1/20 0.52
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52

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 SCHEMBL6188197 0.99 HTR6 (0.60) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL6187853 0.92 HTR6 (0.61) HTR6DRD3HTR1ADRD2HTR1D
Hydrochloric Acid SCHEMBL6186142 0.91 HTR6 (0.60) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL6187548 0.86 HTR6 (0.61) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL6186532 0.81 HTR6 (0.64) HTR6
SCHEMBL6187429 0.80 HTR6 (0.65) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL6184853 0.79 HTR6 (0.61) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL12969072 0.79 HTR6 (0.58) HTR6DRD3HTR1ADRD2HTR1D
SCHEMBL6187575 0.77 KMT2A (0.67) HTR6PDE4APDE4BPDE4CPDE4D
SCHEMBL6186114 0.77 HTR6 (0.75) HTR6DRD3HTR1ADRD2HTR1D

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 7 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
CN-1087294-C Novel compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN 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
CN-1087294-C Novel compounds SMITHKLINE BEECHAM PLC (GB) 2002-07-10 CN 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