SCHEMBL798019

SCHEMBL798019

O=c1[nH]c2cccc(N3CCN(CCCNS(=O)(=O)c4sc5ccccc5c4Cl)CC3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.48
DRD3 P35462 5/20 0.48
DRD4 P21917 2/20 0.48
ADRA1A P35348 2/20 0.47
HTR7 P34969 12/20 0.44
HTR2A P28223 11/20 0.44
HTR6 P50406 10/20 0.44
HTR1A P08908 5/20 0.44
PDE10A Q9Y233 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL797823 0.97 DRD2 (0.50) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL15064224 0.85 HTR6 (0.51) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL798428 0.85 DRD2 (0.44) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL798753 0.84 DRD2 (0.50) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL792885 0.83 HTR6 (0.53) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL797963 0.82 DRD2 (0.53) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL798631 0.82 DRD2 (0.46) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL792965 0.82 DRD2 (0.61) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL797688 0.82 DRD2 (0.54) DRD2DRD3DRD4ADRA1AHTR7
SCHEMBL791866 0.81 HTR7 (0.56) DRD2DRD3DRD4ADRA1AHTR7

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