SCHEMBL4084786

SCHEMBL4084786

N#Cc1cc(N2CCN(CCC3CCC(NS(=O)(=O)c4ccc(F)cc4)CC3)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.75
DRD3 P35462 5/20 0.75
HTR2A P28223 2/20 0.53

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 SCHEMBL4081759 0.92 DRD3 (0.73) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL4081764 0.92 DRD3 (0.73) DRD2DRD3HTR2A
SCHEMBL4079095 0.86 DRD3 (0.70) DRD2DRD3HTR2A
SCHEMBL4079099 0.86 DRD3 (0.70) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL4084756 0.84 DRD2 (0.71) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL4084754 0.84 DRD2 (0.71) DRD2DRD3HTR2A
SCHEMBL4084718 0.83 DRD2 (0.79) DRD2DRD3HTR2A
SCHEMBL4084720 0.83 DRD2 (0.79) DRD2DRD3HTR2A
SCHEMBL6680591 0.79 DRD2 (0.84) DRD2DRD3
SCHEMBL6680587 0.79 DRD2 (0.84) DRD2DRD3

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