SCHEMBL7088074

SCHEMBL7088074

COc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1N1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.76
GHSR Q92847 2/20 0.72
HTR1A P08908 2/20 0.54
DRD2 P14416 2/20 0.54
HTR1D P28221 2/20 0.54
HTR1B P28222 2/20 0.54
HTR2C P28335 2/20 0.54
HTR7 P34969 2/20 0.54
ADRA1B P35368 2/20 0.54
DRD3 P35462 2/20 0.54
HTR4 Q13639 2/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
CYP1A2 P05177 1/20 0.54
ADRB1 P08588 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
CYP2D6 P10635 1/20 0.54
ADRB3 P13945 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
SCHEMBL6980564 0.89 GHSR (0.71) HTR6GHSRHTR1ADRD2HTR1D
SCHEMBL6981515 0.88 HTR6 (0.76) HTR6GHSRHTR1ADRD2HTR1D
SCHEMBL4800026 0.84 GHSR (1.00) GHSR
SCHEMBL4800045 0.84 GHSR (1.00) GHSR
SCHEMBL6977027 0.84 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6976573 0.83 HTR6 (0.64) HTR6GHSRHTR1ADRD2HTR1D
SCHEMBL6977884 0.83 HTR6 (0.66) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL4318272 0.82 HTR6 (0.66) HTR6GHSRHTR1ADRD2HTR1D
SCHEMBL6981723 0.82 HTR6 (0.72) HTR6GHSR
SCHEMBL3324498 0.82 HTR6 (0.66) HTR6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 EP claimed
US-6599904-B2 5-HT6 receptor antagonists are believed to be of potential use in the treatment of certain CNS disorders; cognitive memory enhancement SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-29 US disclosed