SCHEMBL4969952

SCHEMBL4969952

CN1CCN(Cc2c[nH]c3ccc(NS(=O)(=O)NCc4ccccc4)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.53
MPO P05164 1/20 0.52
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 2/20 0.46
HTR1F P30939 2/20 0.46
HTR7 P34969 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
BCHE P06276 1/20 0.44
CYP2D6 P10635 1/20 0.44
DRD3 P35462 1/20 0.43

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
SCHEMBL3138627 0.86 HTR6 (0.55) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL4970421 0.82 HTR6 (0.50) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL3147357 0.80 HTR6 (0.52) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL3147363 0.80 HTR6 (0.52) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL5659589 0.77 HTR6 (0.53) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL28805276 0.75 HTR6 (0.62) HTR6MPOKDM4EALDH1A1TDP1
SCHEMBL4004572 0.74 HTR6 (0.54) HTR6MPO
SCHEMBL4968330 0.73 HTR6 (0.61) HTR6MPOHTR1AHTR1DHTR1B
SCHEMBL8126815 0.72 HTR6 (0.52) HTR6HTR1AHTR1DHTR1BHTR2A
Water SCHEMBL28867170 0.72 HTR6 (0.80) HTR6MPOKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626715-B1 USE OF SULPHONAMIDE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE PROPHYLAXIS AND/OR TREATMENT OF DISORDERS OF FOOD INGESTION ESTEVE LABOR DR (ES) 2008-09-10 EP claimed