SCHEMBL798631

SCHEMBL798631

Cc1c(S(=O)(=O)NCCCCN2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)sc2cccc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.46
DRD3 P35462 4/20 0.46
ADRA1A P35348 2/20 0.46
HTR1A P08908 10/20 0.46
DRD4 P21917 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
HTR2A P28223 12/20 0.43
HTR6 P50406 12/20 0.43
HTR7 P34969 11/20 0.43
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL798428 0.98 DRD2 (0.44) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL792885 0.86 HTR6 (0.53) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL797823 0.85 DRD2 (0.50) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL15064224 0.84 HTR6 (0.51) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL792568 0.83 DRD2 (0.62) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL798019 0.82 DRD2 (0.48) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL797842 0.82 DRD2 (0.55) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL792965 0.81 DRD2 (0.61) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL797688 0.79 DRD2 (0.54) DRD2DRD3ADRA1AHTR1ADRD4
SCHEMBL792543 0.79 HTR1A (0.58) DRD2DRD3ADRA1AHTR1ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616440-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES Adamed sp. z o.o. (PL) 2013-07-24 EP disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO disclosed