SCHEMBL4977756

SCHEMBL4977756

CN(C)CCc1c[nH]c2cc(NS(=O)(=O)c3ccc(-c4ccccn4)s3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.50
PFKFB3 Q16875 1/20 0.49
GHSR Q92847 4/20 0.47
MLNR O43193 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
DRD3 P35462 1/20 0.45
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL3261273 0.93 HTR6 (0.59) HTR6PFKFB3GHSRMLNRCYP2D6
SCHEMBL4971305 0.80 HTR6 (0.54) HTR6HTR1DHTR1BHTR2AHTR2C
SCHEMBL1576247 0.79 HTR6 (0.55) HTR6HTR1DHTR1BHTR2AHTR2C
SCHEMBL1575981 0.75 HTR6 (0.85) HTR6HTR1BHTR2AHTR2CHTR2B
SCHEMBL1576283 0.74 HTR6 (0.69) HTR6HTR7HTR5A
SCHEMBL1576109 0.74 HTR6 (0.85) HTR6HTR2AHTR2CHTR2BHTR1A
SCHEMBL1575999 0.72 HTR6 (0.68) HTR6HTR1DHTR1BHTR2AHTR2C
SCHEMBL1576256 0.72 HTR6 (0.68) HTR6HTR1DHTR1BHTR2AHTR2C
SCHEMBL27694045 0.71 HTR6 (0.56) HTR6HTR1DHTR1BHTR2AHTR2C
SCHEMBL14014137 0.71 PFKFB3 (0.62) HTR6PFKFB3GHSRMLNRCYP2D6

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