SCHEMBL797243

SCHEMBL797243

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.57
DRD3 P35462 5/20 0.57
ADRA1A P35348 2/20 0.57
HTR7 P34969 13/20 0.55
HTR1A P08908 12/20 0.55
HTR6 P50406 11/20 0.55
HTR2A P28223 9/20 0.55
DRD4 P21917 2/20 0.48
PDE10A Q9Y233 1/20 0.47
HTR2C P28335 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45

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
SCHEMBL797963 0.97 DRD2 (0.53) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL791763 0.91 HTR7 (0.60) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL791866 0.88 HTR7 (0.56) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL798604 0.86 HTR7 (0.57) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL797842 0.86 DRD2 (0.55) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL797688 0.83 DRD2 (0.54) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL791196 0.83 DRD2 (0.67) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL797823 0.83 DRD2 (0.50) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL797719 0.82 DRD2 (0.55) DRD2DRD3ADRA1AHTR7HTR1A
SCHEMBL792543 0.82 HTR1A (0.58) 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 disclosed
WO-2012035123-A1 ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES ADAMED SP. Z O.O. (PL) 2012-03-22 WO disclosed