SCHEMBL5335245

SCHEMBL5335245

CCCCN(C(=O)Nc1cc2cccnc2[nH]1)S(=O)(=O)c1ccc(N2CCN(c3cccc(Cl)c3Cl)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.42
DRD2 P14416 10/20 0.42
HTR1A P08908 8/20 0.42
HTR7 P34969 6/20 0.42
HTR6 P50406 6/20 0.42
CHEK2 O96017 1/20 0.38
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
DRD3 P35462 6/20 0.37
DRD4 P21917 1/20 0.37
KCNH2 Q12809 2/20 0.36
DGAT1 O75907 1/20 0.36
PHGDH O43175 1/20 0.36

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
SCHEMBL5336644 0.88 HTR7 (0.48) HTR2AHTR7HTR6HTR2C
SCHEMBL5462054 0.85 DRD2 (0.51) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5474267 0.74 HTR7 (0.57) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5461891 0.72 HTR7 (0.39) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5473527 0.71 HTR2A (0.44) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5481441 0.70 DRD2 (0.46) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL5262985 0.66 DRD3 (0.51) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL14339848 0.64 DRD3 (0.76) HTR2ADRD2HTR1AHTR2CDRD3
SCHEMBL5479077 0.59 DRD2 (0.50) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL14339849 0.58 DRD3 (0.68) HTR2ADRD2HTR1AHTR2CSLC6A4

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-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP claimed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO claimed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed