SCHEMBL6185622

SCHEMBL6185622

COc1ccc(S(=O)(=O)N2CCc3ccc(OC)c(Br)c3C2)cc1N1CCN(C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.59
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR1E P28566 1/20 0.50
HTR1F P30939 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
HTR4 Q13639 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL6185504 0.89 HTR6 (0.60) HTR6CYP3A4CYP2C19HTR1ADRD2
SCHEMBL6187107 0.88 HTR6 (0.65) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6188558 0.88 HTR6 (0.59) HTR6CYP3A4CYP2C19HTR1ADRD2
SCHEMBL6186315 0.86 HTR6 (0.78) HTR6CYP3A4CYP2C19CYP1A2HTR1A
SCHEMBL6186037 0.86 HTR6 (0.65) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
SCHEMBL6189325 0.86 HTR6 (0.61) HTR6CYP3A4CYP2C19CYP1A2HTR1A
Hydrochloric Acid SCHEMBL6187379 0.85 HTR6 (0.64) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL6187759 0.85 HTR6 (0.77) HTR6CYP3A4CYP2C19CYP1A2HTR1A
Hydrochloric Acid SCHEMBL6186116 0.85 HTR6 (0.60) HTR6CYP3A4CYP2C19CYP1A2HTR1A
SCHEMBL6186320 0.84 HTR6 (0.82) HTR6CYP3A4CYP2C19SMN1; SMN2NPSR1

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
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
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