SCHEMBL22005149

SCHEMBL22005149

CCCN(C(=O)OC(C)(C)C)C1CCc2c(ccc(OC)c2OC)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.47
DRD3 P35462 10/20 0.47
DRD4 P21917 2/20 0.47
HTR1A P08908 1/20 0.43
DRD1 P21728 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
SCHEMBL7930304 0.90 DRD2 (0.48) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7933893 0.87 DRD2 (0.44) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7879068 0.85 DRD2 (0.46) DRD2DRD3DRD4
SCHEMBL21255686 0.82 DRD2 (0.39) DRD2DRD3DRD4
SCHEMBL7533056 0.82 DRD2 (0.44) DRD2DRD3DRD4DRD1
SCHEMBL7533054 0.82 DRD2 (0.44) DRD2DRD3DRD4DRD1
SCHEMBL7336693 0.81 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7342658 0.81 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7336689 0.81 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL7342652 0.81 DRD2 (0.47) DRD2DRD3DRD4HTR1ADRD1

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
EP-3653210-A1 TREATMENT OF DYSKINESIA RELATED DISORDERS H. Lundbeck A/S (DK) 2020-05-20 EP disclosed