SCHEMBL6187833

SCHEMBL6187833

COc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 1.00
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
ALOX15 P16050 1/20 0.68
KMT2A Q03164 1/20 0.68
HTR7 P34969 1/20 0.66
HTR4 Q13639 1/20 0.66

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 SCHEMBL6186589 0.99 HTR6 (0.98) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6979261 0.93 HTR6 (1.00) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6185827 0.89 HTR6 (0.84) HTR6HTR7HTR4
SCHEMBL4416491 0.89 HTR6 (0.80) HTR6HTR7HTR4
SCHEMBL6188309 0.88 HTR6 (1.00) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6186936 0.88 HTR6 (0.82) HTR6HTR7HTR4
SCHEMBL6187314 0.88 HTR6 (0.78) HTR6HTR7HTR4
SCHEMBL6185112 0.88 HTR6 (0.87) HTR6KDM4EMEN1ALDH1A1ALOX15
SCHEMBL6188350 0.87 HTR6 (0.77) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6191265 0.87 HTR6 (0.98) HTR6HTR7HTR4

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 9 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-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