SCHEMBL7087799

SCHEMBL7087799

COc1ccc(NS(=O)(=O)c2cccc3ccc(Cl)cc23)cc1N1CCN(C)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.66
HTR1A P08908 4/20 0.64
DRD2 P14416 4/20 0.64
HTR1D P28221 4/20 0.64
HTR1B P28222 4/20 0.64
HTR2C P28335 4/20 0.64
HTR7 P34969 4/20 0.64
ADRA1B P35368 4/20 0.64
DRD3 P35462 4/20 0.64
HTR4 Q13639 4/20 0.64
HTR2A P28223 3/20 0.64
HTR2B P41595 3/20 0.64
HTR1E P28566 2/20 0.64
HTR1F P30939 2/20 0.64
GHSR Q92847 1/20 0.58
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6975550 0.86 HTR6 (0.74) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7081522 0.85 HTR6 (0.72) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6975520 0.83 HTR6 (0.68) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6974970 0.83 HTR6 (0.72) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6977605 0.82 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6975334 0.82 HTR6 (0.82) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL7086734 0.82 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6967616 0.81 GHSR (0.72) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL6972493 0.81 HTR6 (0.83) HTR6HTR1ADRD2HTR1DHTR1B

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