SCHEMBL798515

SCHEMBL798515

N#Cc1ccccc1S(=O)(=O)NCCCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.54
DRD3 P35462 3/20 0.54
ADRA1A P35348 1/20 0.54
HTR7 P34969 8/20 0.48
HTR1A P08908 8/20 0.48
HTR6 P50406 7/20 0.48
HTR2A P28223 5/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
DRD4 P21917 1/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL797719 0.85 DRD2 (0.55) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL791263 0.84 DRD2 (0.58) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL793349 0.83 DRD2 (0.51) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL798604 0.82 HTR7 (0.57) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL797394 0.82 DRD2 (0.51) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL792805 0.81 DRD2 (0.53) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL792847 0.81 DRD2 (0.67) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL792919 0.80 HTR1A (0.67) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL15064357 0.79 HTR7 (0.65) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL792808 0.79 DRD2 (0.62) DRD2DRD3ADRA1AHTR7HTR1A

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 claimed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO claimed