SCHEMBL4087022

SCHEMBL4087022

CCOc1cc(Br)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(I)cc3)CC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
HTR7 P34969 5/20 0.49
DRD2 P14416 7/20 0.46
HTR2A P28223 6/20 0.46
DRD3 P35462 6/20 0.46
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL4081134 0.79 DRD2 (0.59) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL4081131 0.79 DRD2 (0.59) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL4079151 0.78 DRD2 (0.49) HTR1ADRD2HTR2ADRD3ADRA1D
SCHEMBL4079148 0.76 LMNA (0.52) HTR1AHTR7DRD2DRD3ADRA1D
SCHEMBL4075532 0.73 DRD2 (0.54) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL4254856 0.72 DRD2 (0.56) DRD2HTR2ADRD3ADRA1DADRA1A
SCHEMBL4088191 0.70 DRD2 (0.57) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL4075285 0.69 DRD3 (0.57) HTR1AHTR7DRD2HTR2ADRD3
SCHEMBL4075276 0.69 DRD2 (0.47) HTR1ADRD2HTR2ADRD3
SCHEMBL4079207 0.69 DRD2 (0.64) HTR1AHTR7DRD2HTR2ADRD3

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
US-7473692-B2 Sulfonamide derivatives as D3-receptor ligands RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2009-01-06 US claimed
EP-1438302-B1 NEW SULFONAMIDE DERIVATIVES AS D3-RECEPTOR LIGANDS RICHTER GEDEON NYRT (HU) 2012-05-30 EP disclosed