SCHEMBL4629546

SCHEMBL4629546

COc1ccc2[nH]c(S(=O)(=O)c3ccc(OC)c(NC4CCN(C)CC4)c3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 4/20 0.50
DRD2 P14416 2/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR7 P34969 2/20 0.47
HRH1 P35367 2/20 0.47
ADRA1B P35368 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
SLC6A4 P31645 1/20 0.47
CA2 P00918 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
MAPT P10636 1/20 0.42
CNR1 P21554 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
EZH2 Q15910 2/20 0.40

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
SCHEMBL4630007 0.91 CYP3A4 (0.49) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4630164 0.91 CYP3A4 (0.56) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4628929 0.91 KCNH2 (0.56) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4629547 0.91 CA2 (0.45) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4630016 0.84 CA2 (0.46) DRD2CA2HRH4CNR1KDM4E
SCHEMBL2223322 0.81 MAPT (0.53) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4629379 0.81 CYP3A4 (0.54) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4629696 0.81 CYP3A4 (0.37) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL2220937 0.79 CYP3A4 (0.51) CYP3A4CYP2D6DRD2SLC6A2HTR2A
SCHEMBL4628917 0.78 VCP (0.48) CYP3A4CYP2D6DRD2SLC6A2HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919896-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. Suven Life Sciences Limited (IN) 2008-05-14 EP claimed
WO-2007020652-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO claimed
EP-1919896-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. Suven Life Sciences Limited (IN) 2008-05-14 EP disclosed
WO-2007020652-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed