SCHEMBL797963

SCHEMBL797963

O=c1[nH]c2cccc(N3CCN(CCCNS(=O)(=O)c4ccc5ccccc5c4Cl)CC3)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.53
DRD3 P35462 2/20 0.53
ADRA1A P35348 1/20 0.53
HTR7 P34969 12/20 0.52
HTR6 P50406 10/20 0.52
HTR1A P08908 10/20 0.52
HTR2A P28223 7/20 0.52
DRD4 P21917 1/20 0.49
PDE10A Q9Y233 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
CCR1 P32246 1/20 0.45
SLC6A4 P31645 1/20 0.44

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
SCHEMBL797243 0.97 DRD2 (0.57) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL791866 0.90 HTR7 (0.56) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL791763 0.88 HTR7 (0.60) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL797688 0.86 DRD2 (0.54) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL798604 0.84 HTR7 (0.57) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL797842 0.83 DRD2 (0.55) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL791638 0.82 HTR7 (0.67) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL798019 0.82 DRD2 (0.48) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL797394 0.82 DRD2 (0.51) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL792247 0.81 HTR1A (0.54) DRD2DRD3ADRA1AHTR7HTR6

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