SCHEMBL6185518

SCHEMBL6185518

COc1ccc(S(=O)(=O)N2CCCc3ccc(Br)cc32)cc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 1.00
HTR7 P34969 2/20 0.69
HTR4 Q13639 2/20 0.69
HTR1A P08908 1/20 0.69
DRD2 P14416 1/20 0.69
HTR1D P28221 1/20 0.69
HTR1B P28222 1/20 0.69
HTR2C P28335 1/20 0.69
ADRA1B P35368 1/20 0.69
DRD3 P35462 1/20 0.69
HTR2B P41595 1/20 0.69
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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 SCHEMBL6188510 0.99 HTR6 (0.98) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL6188080 0.92 HTR6 (1.00) HTR6HTR7HTR4HTR1ADRD2
Hydrochloric Acid SCHEMBL6189532 0.91 HTR6 (0.98) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL6186114 0.86 HTR6 (0.75) HTR6HTR7HTR4HTR1ADRD2
Hydrochloric Acid SCHEMBL6186554 0.85 HTR6 (0.74) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL6188084 0.83 HTR6 (0.70) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL6189625 0.82 HTR6 (0.78) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL6185776 0.82 HTR6 (1.00) HTR6HTR7HTR4HTR1ADRD2
Hydrochloric Acid SCHEMBL6187310 0.81 HTR6 (0.98) HTR6HTR7HTR4HTR1ADRD2
SCHEMBL27397067 0.79 HTR6 (0.64) HTR6HTR7HTR4HTR1ADRD2

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 6 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