SCHEMBL24650249

SCHEMBL24650249

CCOC(=O)CCOc1cc(OC)cc2c1CC(N)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
PTPN1 P18031 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ESR2 Q92731 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL24650832 0.94 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL24650256 0.92 L3MBTL1 (0.40) PDE4APDE4BPDE4CPDE4DACHE
SCHEMBL24651149 0.89 ACHE (0.41) CA1CA2ACHEDRD2DRD3
SCHEMBL24650304 0.88 ALDH1A1 (0.42) CA1CA2ACHEPTPN1SMN1; SMN2
SCHEMBL24650411 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL24650824 0.86 BRD4 (0.43) PDE4APDE4BPDE4CPDE4DPTPN1
SCHEMBL24651156 0.85 LMNA (0.43) CA1CA2ACHEDRD2DRD3
SCHEMBL24651159 0.85 L3MBTL1 (0.37) CA1CA2ACHEKMT2AL3MBTL1
SCHEMBL24650814 0.83 MAPT (0.42) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL24650744 0.83 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1

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
WO-2022238507-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2022-11-17 WO disclosed