SCHEMBL798753

SCHEMBL798753

O=S(=O)(NCCCCN1CCN(c2cccc3[nH]ccc23)CC1)c1sc2ccccc2c1Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.50
DRD3 P35462 6/20 0.50
ADRA1A P35348 2/20 0.50
FAAH O00519 1/20 0.49
CNR1 P21554 1/20 0.49
HTR7 P34969 10/20 0.48
HTR6 P50406 10/20 0.48
HTR2A P28223 9/20 0.48
HTR1A P08908 7/20 0.48
DRD4 P21917 2/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1B P35368 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 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
SCHEMBL797823 0.87 DRD2 (0.50) DRD2DRD3ADRA1AFAAHHTR7
SCHEMBL798019 0.84 DRD2 (0.48) DRD2DRD3ADRA1AFAAHHTR7
SCHEMBL792805 0.83 DRD2 (0.53) DRD2DRD3ADRA1AFAAHCNR1
SCHEMBL792808 0.82 DRD2 (0.62) DRD2DRD3ADRA1AHTR7HTR6
SCHEMBL798604 0.82 HTR7 (0.57) DRD2DRD3ADRA1AFAAHCNR1
SCHEMBL791263 0.82 DRD2 (0.58) DRD2DRD3ADRA1AFAAHCNR1
SCHEMBL792676 0.81 DRD2 (0.64) DRD2DRD3ADRA1AFAAHCNR1
SCHEMBL798862 0.81 HTR1A (0.51) DRD2DRD3FAAHCNR1HTR7
SCHEMBL792428 0.81 HTR7 (0.56) DRD2DRD3ADRA1AFAAHCNR1
SCHEMBL792464 0.79 HTR7 (0.63) DRD2DRD3ADRA1AFAAHCNR1

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