SCHEMBL4088191

SCHEMBL4088191

COc1ccccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.57
DRD3 P35462 4/20 0.57
HTR1A P08908 3/20 0.55
HTR2A P28223 5/20 0.55
ADRA1D P25100 4/20 0.53
ADRA1A P35348 4/20 0.53
ADRA1B P35368 4/20 0.53
LMNA P02545 2/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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 0.88 DRD2 (0.59) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4081131 0.88 DRD2 (0.59) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4075504 0.79 HTR7 (0.65) DRD2DRD3HTR1AHTR2AHTR2C
SCHEMBL4075434 0.78 DRD2 (0.56) DRD2DRD3HTR1AHTR2ALMNA
SCHEMBL4075285 0.78 DRD3 (0.57) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4075532 0.77 DRD2 (0.54) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL6936848 0.76 HTR1A (0.67) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4079207 0.76 DRD2 (0.64) DRD2DRD3HTR1AHTR2ALMNA
SCHEMBL4084481 0.76 DRD2 (0.58) DRD2DRD3HTR1AHTR2AADRA1D
SCHEMBL4254856 0.75 DRD2 (0.56) DRD2DRD3HTR2AADRA1DADRA1A

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