SCHEMBL798428

SCHEMBL798428

Cc1c(S(=O)(=O)NCCCN2CCN(c3cccc4[nH]c(=O)[nH]c34)CC2)sc2cccc(Cl)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
DRD3 P35462 3/20 0.44
DRD4 P21917 2/20 0.44
ADRA1A P35348 2/20 0.43
HTR2A P28223 12/20 0.42
HTR7 P34969 10/20 0.42
HTR6 P50406 9/20 0.42
HTR1A P08908 8/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
PDE10A Q9Y233 1/20 0.39
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.38

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
SCHEMBL798631 0.98 DRD2 (0.46) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL15064224 0.86 HTR6 (0.51) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL798019 0.85 DRD2 (0.48) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL792885 0.84 HTR6 (0.53) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL792965 0.83 DRD2 (0.61) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL797823 0.82 DRD2 (0.50) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL797688 0.81 DRD2 (0.54) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL792568 0.81 DRD2 (0.62) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL797842 0.79 DRD2 (0.55) DRD2DRD3DRD4ADRA1AHTR2A
SCHEMBL792247 0.79 HTR1A (0.54) DRD2DRD3DRD4ADRA1AHTR2A

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