SCHEMBL29677014

SCHEMBL29677014

CC(C)(C)OC(=O)CN1CCc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
DRD3 P35462 6/20 0.45
DRD2 P14416 3/20 0.45
DRD4 P21917 1/20 0.45
AOC3 Q16853 4/20 0.44
DRD1 P21728 2/20 0.44
ACHE P22303 1/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
PLA2G10 O15496 1/20 0.42
PLA2G5 P39877 1/20 0.42

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
SCHEMBL29918332 0.86 ALOX15 (0.52) MAPK1PLA2G10PLA2G5
SCHEMBL23099758 0.85 AOC3 (0.55) DRD3DRD2DRD4AOC3DRD1
SCHEMBL30530722 0.83 ITGB3 (0.53) AOC3ITGB3ITGA2B
SCHEMBL25363440 0.83 ITGB3 (0.53) AOC3ITGB3ITGA2B
SCHEMBL4070429 0.83 AOC3 (0.56) AOC3
SCHEMBL30530638 0.83 AOC3 (0.48) MAPK1AOC3ITGB3ITGA2B
SCHEMBL25362979 0.83 AOC3 (0.48) MAPK1AOC3ITGB3ITGA2B
SCHEMBL18765758 0.83 MAPK1 (0.49) MAPK1AOC3ITGB3ITGA2B
SCHEMBL29676865 0.83 MAPK1 (0.49) MAPK1AOC3ITGB3ITGA2B
SCHEMBL19852020 0.80 KDM4E (0.47) DRD3DRD2DRD4DRD1ACHE

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
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 CN disclosed