SCHEMBL797688

SCHEMBL797688

O=c1[nH]c2cccc(N3CCN(CCCNS(=O)(=O)c4ccccc4Cl)CC3)c2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.54
DRD3 P35462 3/20 0.54
DRD4 P21917 2/20 0.54
ADRA1A P35348 2/20 0.51
HTR1A P08908 9/20 0.51
HTR7 P34969 9/20 0.51
HTR6 P50406 8/20 0.51
HTR2A P28223 6/20 0.51
CCR1 P32246 2/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1B P35368 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL797842 0.97 DRD2 (0.55) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL791866 0.88 HTR7 (0.56) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL797394 0.86 DRD2 (0.51) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL797963 0.86 DRD2 (0.53) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL792247 0.86 HTR1A (0.54) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL791763 0.85 HTR7 (0.60) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL791206 0.84 DRD2 (0.53) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL797719 0.84 DRD2 (0.55) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL797243 0.83 DRD2 (0.57) DRD2DRD3DRD4ADRA1AHTR1A
SCHEMBL792543 0.83 HTR1A (0.58) DRD2DRD3DRD4ADRA1AHTR1A

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