SCHEMBL4969770

SCHEMBL4969770

CCCN(CCC)CCc1c[nH]c2ccc(NS(=O)(=O)Nc3sc4ccc(Cl)cc4c3C)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 16/20 0.78
HTR1D P28221 4/20 0.45
HTR1A P08908 2/20 0.44
HTR1B P28222 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
SLC6A2 P23975 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 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
SCHEMBL4969536 0.95 HTR6 (0.70) HTR6HTR1DHTR1AHTR1BADRA2A
SCHEMBL4969996 0.94 HTR6 (0.77) HTR6HTR1DHTR1AHTR1BADRA2A
SCHEMBL4969544 0.91 HTR6 (0.77) HTR6HTR1DHTR1AHTR1BADRA2B
SCHEMBL4967538 0.89 HTR6 (0.70) HTR6HSD17B10SLC6A4
SCHEMBL3147604 0.87 HTR6 (1.00) HTR6
SCHEMBL4968415 0.85 HTR6 (0.76) HTR6HTR1DHTR1AHTR1BHTR2A
SCHEMBL4979581 0.83 HTR6 (0.79) HTR6HTR1DHTR1AHTR1BHTR2A
SCHEMBL3156507 0.83 HTR6 (0.91) HTR6
SCHEMBL3145090 0.81 HTR6 (1.00) HTR6
SCHEMBL4969933 0.81 HTR6 (0.80) HTR6HTR1DHTR1AHTR1BHTR2A

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