SCHEMBL5262999

SCHEMBL5262999

O=c1c(Cl)c(CCCN2CCN(c3cccc(Cl)c3Cl)CC2)[nH]n1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.54
DRD3 P35462 11/20 0.54
DRD4 P21917 4/20 0.54
HTR2A P28223 7/20 0.53
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR1A P08908 5/20 0.49
DRD1 P21728 2/20 0.49
MCHR1 Q99705 1/20 0.49
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 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
SCHEMBL5264783 0.94 DRD2 (0.51) DRD2DRD3DRD4HTR2ASLC6A2
SCHEMBL5264352 0.87 SMN1; SMN2 (0.55) DRD2DRD3HTR2ASLC6A4HTR1A
SCHEMBL5268003 0.84 SIGMAR1 (0.53) HTR1AHTR7
SCHEMBL5268778 0.82 MEN1 (0.48) DRD2DRD4HTR1AHTR7
SCHEMBL5263985 0.81 SIGMAR1 (0.47) HTR1AHTR7
SCHEMBL5263941 0.80 MEN1 (0.57) DRD2HTR2ASLC6A4HTR1ADRD1
SCHEMBL5266680 0.80 SLC6A2 (0.47) DRD2DRD3DRD4SLC6A2SLC6A4
SCHEMBL5265876 0.80 SIGMAR1 (0.48) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5265422 0.78 ADRA1D (0.57) DRD2DRD3HTR1AHTR7
SCHEMBL5270524 0.76 MEN1 (0.54) DRD2DRD3DRD4HTR1AHTR7

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