SCHEMBL5266680

SCHEMBL5266680

O=c1c(Cl)c(CCN2CCN(c3ccc(Cl)cc3Cl)CC2)[nH]n1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD2 P14416 4/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 2/20 0.45
HTR1A P08908 4/20 0.43
HTR7 P34969 1/20 0.43
CACNA1G O43497 1/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL5270523 0.89 ADRA1B (0.54) SLC6A4SIGMAR1DRD3HTR1A
SCHEMBL5264311 0.86 ADRA1D (0.53) DRD2DRD4HTR1A
SCHEMBL5264783 0.86 DRD2 (0.51) SLC6A2SLC6A4DRD2DRD4DRD3
SCHEMBL5270524 0.83 MEN1 (0.54) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL5316188 0.81 HTR1A (0.44) SIGMAR1HTR1AHTR7
SCHEMBL5263941 0.81 MEN1 (0.57) SLC6A4DRD2HTR1AHTR7
SCHEMBL5265422 0.81 ADRA1D (0.57) DRD2DRD3HTR1AHTR7
SCHEMBL5268778 0.81 MEN1 (0.48) SIGMAR1DRD2DRD4HTR1AHTR7
SCHEMBL5265038 0.81 OPRM1 (0.54) SIGMAR1DRD2DRD4DRD3HTR1A
SCHEMBL5268003 0.81 SIGMAR1 (0.53) SIGMAR1HTR1AHTR7

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