SCHEMBL4084512

SCHEMBL4084512

COc1cc(-c2ccccc2)ccc1N1CCN(CCC2CCC(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.48
ADRA1A P35348 6/20 0.48
ADRA1B P35368 6/20 0.48
DRD3 P35462 5/20 0.48
ADRA1D P25100 5/20 0.48
HTR2A P28223 3/20 0.48
BDKRB1 P46663 1/20 0.46
HTR1A P08908 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
Hydrochloric Acid SCHEMBL4078876 0.84 DRD2 (0.57) DRD2ADRA1AADRA1BDRD3ADRA1D
Hydrochloric Acid SCHEMBL4078869 0.84 DRD2 (0.57) DRD2ADRA1AADRA1BDRD3ADRA1D
Hydrochloric Acid SCHEMBL4075538 0.83 DRD2 (0.56) DRD2ADRA1AADRA1BDRD3ADRA1D
Hydrochloric Acid SCHEMBL4075541 0.83 DRD2 (0.56) DRD2ADRA1AADRA1BDRD3ADRA1D
SCHEMBL4254856 0.82 DRD2 (0.56) DRD2ADRA1AADRA1BDRD3ADRA1D
Hydrochloric Acid SCHEMBL4079219 0.81 DRD3 (0.49) DRD2DRD3HTR2AHTR1A
Hydrochloric Acid SCHEMBL4079221 0.81 DRD3 (0.49) DRD2DRD3HTR2AHTR1A
SCHEMBL4084481 0.80 DRD2 (0.58) DRD2ADRA1AADRA1BDRD3ADRA1D
SCHEMBL4075532 0.80 DRD2 (0.54) DRD2ADRA1AADRA1BDRD3ADRA1D
SCHEMBL4081134 0.77 DRD2 (0.59) DRD2ADRA1AADRA1BDRD3ADRA1D

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