SCHEMBL4684341

SCHEMBL4684341

CC(O)c1ccc2cn(C(=O)CCCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.51
DRD3 P35462 4/20 0.51
ADRA1A P35348 2/20 0.51
HTR7 P34969 8/20 0.49
SIGMAR1 Q99720 1/20 0.48
DRD5 P21918 1/20 0.47
HTR2A P28223 3/20 0.46
HTR1A P08908 2/20 0.46
HTR6 P50406 2/20 0.46

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 SCHEMBL4934721 0.99 DRD2 (0.51) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4687018 0.87 DRD2 (0.62) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4683536 0.87 DRD2 (0.53) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4688656 0.87 DRD2 (0.55) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4684374 0.87 DRD2 (0.55) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4687728 0.86 HTR2A (0.55) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4684298 0.86 DRD2 (0.59) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4689635 0.86 DRD2 (0.53) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4685505 0.86 DRD2 (0.53) DRD2DRD3ADRA1AHTR7SIGMAR1
SCHEMBL4688104 0.85 DRD2 (0.60) DRD2DRD3ADRA1AHTR7SIGMAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP claimed
EP-1828125-B1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET SOC CIV (FR) 2008-04-09 EP disclosed
EP-1828125-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANGS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2007-09-05 EP disclosed
WO-2006058993-A1 ARYLPIPERAZINE DERIVATIVES AND THEIR USE AS LIGANDS SELECTIVE OF THE DOPAMINE D3 RECEPTOR BIOPROJET (FR) 2006-06-08 WO disclosed