SCHEMBL7820656

SCHEMBL7820656

O=C1c2ccccc2S(=O)(=O)N1CCCCCN1CCN(c2cc(Cl)cc3c2OCCO3)CC1

nearest known ligand 0.98

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.67
DRD2 P14416 17/20 0.67
HTR2A P28223 16/20 0.67
HTR7 P34969 16/20 0.67
HTR6 P50406 16/20 0.67
DRD4 P21917 1/20 0.61
DRD5 P21918 1/20 0.61
DRD3 P35462 1/20 0.61

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
Du 125530 SCHEMBL29403202 0.99 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
Du 125530 SCHEMBL1082516 0.99 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
Du 125530 SCHEMBL6063602 0.98 HTR1A (0.67) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7821691 0.94 HTR1A (0.76) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9268325 0.93 HTR1A (0.75) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7820777 0.90 HTR1A (0.55) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7815669 0.88 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7833008 0.88 HTR1A (0.68) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7817326 0.86 HTR1A (0.65) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7814640 0.86 HTR1A (0.65) HTR1ADRD2HTR2AHTR7HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633260-B1 2,3-Dihydro-1,4-benzodioxan-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INT RES (NL) 2001-11-07 EP disclosed
US-5462942-A 2,3-dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT 1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1995-10-31 US disclosed
EP-0633260-A1 2,3-Dihydro-1,4-benzodioxin-5-yl-piperazine derivatives having 5-HT1A-antagonistic activity DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-01-11 EP disclosed