SCHEMBL7084057

SCHEMBL7084057

CN1CCN(c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc2Br)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 10/20 0.67
HTR2C P28335 3/20 0.67
HTR1A P08908 2/20 0.67
HTR2A P28223 2/20 0.67
HTR7 P34969 2/20 0.67
DRD3 P35462 2/20 0.67
NLRP3 Q96P20 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
DRD2 P14416 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
HTR1E P28566 1/20 0.56
HTR1F P30939 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR2B P41595 1/20 0.56
HTR4 Q13639 1/20 0.56
RAD52 P43351 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
SCHEMBL6975625 0.85 HTR6 (0.78) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL7089949 0.81 HTR2C (1.00) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL7201600 0.80 RAD52 (0.73) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL7086874 0.78 HTR6 (0.59) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL27567280 0.78 HTR6 (0.58) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL13757739 0.75 DRD3 (0.60) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL733291 0.74 HTR6 (0.57) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL752220 0.74 HTR6 (0.57) HTR6HTR2CHTR1AHTR2AHTR7
SCHEMBL1380649 0.74 HTR6 (0.63) HTR6HTR2CHTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL3143290 0.74 DRD3 (0.59) HTR6HTR2CHTR1AHTR2AHTR7

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