SCHEMBL6187751

SCHEMBL6187751

COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1N1CCN(C)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.69
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
HTR1A P08908 1/20 0.67
CYP2D6 P10635 1/20 0.67
DRD2 P14416 1/20 0.67
HTR1D P28221 1/20 0.67
HTR1B P28222 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR1E P28566 1/20 0.67
HTR1F P30939 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTR7 P34969 1/20 0.67
ADRA1B P35368 1/20 0.67
DRD3 P35462 1/20 0.67
HTR2B P41595 1/20 0.67
HTR4 Q13639 1/20 0.67
KDM4E B2RXH2 1/20 0.67
MEN1 O00255 1/20 0.67

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 SCHEMBL6186749 0.99 HTR6 (0.68) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6977008 0.91 HTR6 (0.80) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6187692 0.88 HTR6 (0.84) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6186527 0.88 HTR6 (0.79) HTR6CYP1A2CYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL6190357 0.87 HTR6 (0.78) HTR6CYP1A2CYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL6187844 0.87 HTR6 (0.83) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6185721 0.86 HTR6 (0.66) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL6187465 0.86 HTR6 (0.74) HTR6CYP1A2CYP3A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL6189424 0.85 HTR6 (0.64) HTR6CYP1A2CYP3A4HTR1ACYP2D6
SCHEMBL9889154 0.85 HTR6 (0.64) HTR6CYP1A2CYP3A4HTR1ACYP2D6

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 6 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
US-6316450-B1 PIPERAZINE COMPOUNDS FOR TREATING DEPRESSION AND ANXIETY SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-13 US 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