SCHEMBL7930304

SCHEMBL7930304

CCCN(C(=O)OC(C)(C)C)[C@H]1CCc2c(ccc(OC)c2O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.48
DRD1 P21728 2/20 0.48
DRD4 P21917 5/20 0.47
DRD3 P35462 5/20 0.47
HTR1A P08908 2/20 0.43
ADRA1D P25100 5/20 0.42
ADRA1A P35348 5/20 0.42
ADRA1B P35368 5/20 0.42
DRD5 P21918 1/20 0.41
HTR7 P34969 1/20 0.41
ADRB2 P07550 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
SCHEMBL22005149 0.90 DRD2 (0.47) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7933893 0.87 DRD2 (0.44) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7933904 0.86 DRD2 (0.43) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL30580523 0.82 DRD2 (0.63) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL22703548 0.81 DRD2 (0.72) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7951055 0.80 DRD2 (0.54) DRD2DRD1DRD4DRD3HTR1A
SCHEMBL7533056 0.78 DRD2 (0.44) DRD2DRD1DRD4DRD3
SCHEMBL7533054 0.78 DRD2 (0.44) DRD2DRD1DRD4DRD3
SCHEMBL21255632 0.77 DRD2 (0.66) DRD2DRD1DRD4DRD3ADRA1D
SCHEMBL7785770 0.77 DRD2 (0.46) DRD2DRD1DRD4DRD3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6232348-B1 AGONISTS OF THE DOPAMINERGIC RECEPTORS MORE POTENT THAN DOPAMINE AND OTHER KNOWN COMPOUNDS, DEPRIVED OF INTERACTION WITH OTHER RECEPTORS AND ORALLY BIOAVAILABLE WITH A LONG TERM OF ACTION ZAMBON GROUP S.P.A. (IT) 2001-05-15 US disclosed