SCHEMBL4075532

SCHEMBL4075532

COc1cc(Cl)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
HTR2A P28223 5/20 0.54
DRD3 P35462 5/20 0.54
HTR1A P08908 2/20 0.54
DRD4 P21917 1/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL4254856 0.91 DRD2 (0.56) DRD2HTR2ADRD3DRD4ADRA1D
SCHEMBL4075285 0.85 DRD3 (0.57) DRD2HTR2ADRD3HTR1ADRD4
SCHEMBL4083822 0.83 HTR2A (0.61) DRD2HTR2ADRD3HTR1A
SCHEMBL4084512 0.80 DRD2 (0.48) DRD2HTR2ADRD3HTR1AADRA1D
SCHEMBL4081134 0.79 DRD2 (0.59) DRD2HTR2ADRD3HTR1ADRD4
SCHEMBL4081131 0.79 DRD2 (0.59) DRD2HTR2ADRD3HTR1ADRD4
SCHEMBL4078880 0.79 CRHBP (0.59) DRD2HTR2ADRD3HTR1AHTR7
SCHEMBL4079602 0.79 HTR7 (0.55) DRD2HTR2ADRD3HTR1AHTR7
SCHEMBL4079923 0.78 DRD2 (0.51) DRD2HTR2ADRD3HTR1AADRA1D
SCHEMBL4079207 0.78 DRD2 (0.64) DRD2HTR2ADRD3HTR1AHTR7

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