SCHEMBL1381920

SCHEMBL1381920

CCN(c1ccc2ccccc2c1)S(=O)(=O)c1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.50
HTR1A P08908 2/20 0.44
HTR2A P28223 2/20 0.44
HTR7 P34969 2/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR3E A5X5Y0 2/20 0.41
HTR3B O95264 2/20 0.41
HTR3A P46098 2/20 0.41
HTR5A P47898 2/20 0.41
HTR3D Q70Z44 2/20 0.41
HTR3C Q8WXA8 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 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
SCHEMBL3655977 0.86 HTR6 (0.53) HTR6HTR1AHTR2AHTR7HTR2C
SCHEMBL1380036 0.74 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR2C
SCHEMBL1378745 0.74 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL1379064 0.74 HTR6 (0.53) HTR6HTR1AHTR7DRD3HTR3E
SCHEMBL1380609 0.73 HTR6 (0.55) HTR6HTR1AHTR2AHTR7DRD3
SCHEMBL1383346 0.73 HTR6 (0.55) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL1377014 0.72 HTR6 (0.51) HTR6
SCHEMBL4573952 0.72 HTR6 (0.70) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL1376935 0.71 HTR6 (0.49) HTR6HTR1AHTR2AHTR7HTR3E
SCHEMBL1380282 0.70 HTR6 (0.56) HTR6HTR1AHTR2AHTR7HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4731114-B2 2011-07-20 JP claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed