SCHEMBL21255686

SCHEMBL21255686

CCCN(C(=O)OC(C)(C)C)C1Cc2ccc(OC)c(OC)c2CC1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
ACHE P22303 2/20 0.35
ALDH1A1 P00352 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL7908331 0.91 DRD2 (0.40) DRD2DRD3ACHEALDH1A1DRD4
SCHEMBL22005149 0.82 DRD2 (0.47) DRD2DRD3DRD4
SCHEMBL7930304 0.74 DRD2 (0.48) DRD2DRD3DRD4
SCHEMBL7933893 0.71 DRD2 (0.44) DRD2DRD3DRD4
SCHEMBL7879068 0.69 DRD2 (0.46) DRD2DRD3ACHEALDH1A1DRD4
SCHEMBL7336693 0.65 DRD2 (0.47) DRD2DRD3DRD4
SCHEMBL7342658 0.65 DRD2 (0.47) DRD2DRD3DRD4
SCHEMBL7342652 0.65 DRD2 (0.47) DRD2DRD3DRD4
SCHEMBL7336689 0.65 DRD2 (0.47) DRD2DRD3DRD4
SCHEMBL7999366 0.65 CA12 (0.34)

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-2400967-B1 TREATMENT OF DYSKINESIA RELATED DISORDERS H LUNDBECK AS (DK) 2019-08-14 EP disclosed