SCHEMBL6186686

SCHEMBL6186686

COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1N1CCNCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.75
HTR7 P34969 1/20 0.57
HTR4 Q13639 1/20 0.57

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 SCHEMBL6185999 0.99 HTR6 (0.74) HTR6HTR7HTR4
SCHEMBL6967906 0.92 HTR6 (0.74) HTR6
SCHEMBL4416491 0.85 HTR6 (0.80) HTR6HTR7HTR4
SCHEMBL6187019 0.85 HTR6 (1.00) HTR6HTR7
SCHEMBL6188309 0.85 HTR6 (1.00) HTR6HTR7HTR4
SCHEMBL6184883 0.85 HTR6 (1.00) HTR6HTR7HTR4
SCHEMBL9889210 0.85 HTR6 (0.66) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6191265 0.84 HTR6 (0.98) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL6188087 0.84 HTR6 (0.98) HTR6HTR7
Hydrochloric Acid SCHEMBL2719701 0.84 HTR6 (0.65) 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 10 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
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
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