SCHEMBL797823

SCHEMBL797823

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 17/20 0.50
DRD3 P35462 6/20 0.50
ADRA1A P35348 2/20 0.50
DRD4 P21917 2/20 0.48
HTR7 P34969 11/20 0.47
HTR6 P50406 11/20 0.47
HTR2A P28223 11/20 0.47
HTR1A P08908 8/20 0.47
ADRA1D P25100 1/20 0.45
ADRA1B P35368 1/20 0.45
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
SCHEMBL798019 0.97 DRD2 (0.48) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL798753 0.87 DRD2 (0.50) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL792885 0.85 HTR6 (0.53) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL798631 0.85 DRD2 (0.46) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL797243 0.83 DRD2 (0.57) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL15064224 0.83 HTR6 (0.51) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL798428 0.82 DRD2 (0.44) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL792568 0.82 DRD2 (0.62) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL797842 0.82 DRD2 (0.55) DRD2DRD3ADRA1ADRD4HTR7
SCHEMBL791763 0.81 HTR7 (0.60) DRD2DRD3ADRA1ADRD4HTR7

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