SCHEMBL6983543

SCHEMBL6983543

COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1N1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.63
HTR1A P08908 3/20 0.61
HTR2C P28335 3/20 0.61
HTR7 P34969 3/20 0.61
DRD2 P14416 2/20 0.61
HTR1D P28221 2/20 0.61
HTR1B P28222 2/20 0.61
ADRA1B P35368 2/20 0.61
DRD3 P35462 2/20 0.61
HTR4 Q13639 2/20 0.61
DRD1 P21728 1/20 0.61
DRD4 P21917 1/20 0.61
HTR2A P28223 1/20 0.61
HTR3A P46098 2/20 0.61
HTR2B P41595 2/20 0.61
CYP1A2 P05177 1/20 0.61
ADRB1 P08588 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADRA2A P08913 1/20 0.61
CYP2D6 P10635 1/20 0.61

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
SCHEMBL6973242 0.89 HTR6 (0.67) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6983122 0.84 HTR6 (0.65) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6975640 0.82 HTR6 (0.70) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6982284 0.82 HTR6 (0.61) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6977027 0.82 HTR6 (0.67) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6971453 0.82 HTR6 (0.66) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6975332 0.81 HTR6 (0.80) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6973742 0.81 HTR6 (0.80) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6977884 0.81 HTR6 (0.66) HTR6HTR1AHTR2CHTR7DRD2
SCHEMBL6971247 0.81 HTR6 (0.64) HTR6HTR1AHTR2CHTR7DRD2

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