SCHEMBL5264783

SCHEMBL5264783

O=c1c(Cl)c(CCN2CCN(c3cccc(Cl)c3Cl)CC2)[nH]n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.51
DRD3 P35462 13/20 0.51
DRD4 P21917 6/20 0.51
HTR2A P28223 4/20 0.49
OPRM1 P35372 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD1 P21728 2/20 0.46
MCHR1 Q99705 1/20 0.46
HTR1A P08908 3/20 0.46
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45

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
SCHEMBL5262999 0.94 DRD2 (0.54) DRD2DRD3DRD4HTR2ASLC6A2
SCHEMBL5263941 0.86 MEN1 (0.57) DRD2HTR2ASLC6A4DRD1HTR1A
SCHEMBL5266680 0.86 SLC6A2 (0.47) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL5265422 0.84 ADRA1D (0.57) DRD2DRD3HTR1AHTR7
SCHEMBL5270524 0.82 MEN1 (0.54) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL5265038 0.82 OPRM1 (0.54) DRD2DRD3DRD4OPRM1HTR1A
SCHEMBL5265183 0.81 DRD4 (0.48) DRD2DRD4HTR1AHTR7
SCHEMBL5270523 0.81 ADRA1B (0.54) DRD3OPRM1SLC6A4DRD1HTR1A
SCHEMBL5264352 0.81 SMN1; SMN2 (0.55) DRD2DRD3HTR2ASLC6A4HTR1A
SCHEMBL5264311 0.79 ADRA1D (0.53) DRD2DRD4HTR1A

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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO disclosed