SCHEMBL6185243

SCHEMBL6185243

COc1ccc(S(=O)(=O)Nc2ccc(F)cc2Br)cc1N1CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.63
HTR7 P34969 2/20 0.60
HTR4 Q13639 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
HTR1A P08908 1/20 0.60
CYP2D6 P10635 1/20 0.60
DRD2 P14416 1/20 0.60
HTR1D P28221 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR1E P28566 1/20 0.60
HTR1F P30939 1/20 0.60
CYP2C19 P33261 1/20 0.60
ADRA1B P35368 1/20 0.60
DRD3 P35462 1/20 0.60
HTR2B P41595 1/20 0.60
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55

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 SCHEMBL6186756 0.99 HTR6 (0.62) HTR6HTR7HTR4CYP1A2CYP3A4
SCHEMBL6186711 0.89 HTR6 (0.80) HTR6HTR7HTR4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6187986 0.88 HTR6 (0.78) HTR6HTR7HTR4CYP1A2CYP3A4
SCHEMBL6186703 0.88 HTR6 (0.61) HTR6HTR7HTR4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6188345 0.87 HTR6 (0.60) HTR6HTR7HTR4CYP1A2CYP3A4
SCHEMBL617817 0.85 HTR6 (0.54) HTR6HTR7HTR4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL614732 0.84 HTR6 (0.53) HTR6HTR7HTR4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6189329 0.82 HTR6 (0.56) HTR6HTR7HTR4CYP1A2CYP3A4
SCHEMBL6186465 0.82 HTR6 (0.63) HTR6HTR7HTR4CYP1A2CYP3A4
SCHEMBL6189085 0.82 HTR6 (0.66) HTR6HTR7HTR4CYP1A2CYP3A4

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 5 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
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
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