SCHEMBL4075504

SCHEMBL4075504

COc1ccc(S(=O)(=O)NC2CCC(CCN3CCN(c4ccccc4F)CC3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.65
HTR2A P28223 7/20 0.59
DRD3 P35462 6/20 0.59
DRD2 P14416 6/20 0.59
THRB P10828 1/20 0.55
HTR1A P08908 4/20 0.52
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTR2C P28335 1/20 0.51
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 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
SCHEMBL4079207 0.90 DRD2 (0.64) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4081131 0.81 DRD2 (0.59) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4081134 0.81 DRD2 (0.59) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4078880 0.81 CRHBP (0.59) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4079602 0.81 HTR7 (0.55) HTR7HTR2ADRD3DRD2THRB
SCHEMBL4075434 0.80 DRD2 (0.56) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4088191 0.79 DRD2 (0.57) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4075285 0.77 DRD3 (0.57) HTR7HTR2ADRD3DRD2HTR1A
SCHEMBL4485092 0.75 DRD3 (0.70) HTR2ADRD3DRD2HTR1AHTR2C
SCHEMBL13629885 0.75 DRD3 (0.70) HTR2ADRD3DRD2HTR1AHTR2C

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