SCHEMBL28402009

SCHEMBL28402009

CC(C)(C)OC(=O)N1CCC(Cn2ccc(N)nc2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
FPR2 P25090 1/20 0.44
GPR119 Q8TDV5 6/20 0.43
CTSD P07339 1/20 0.43
CTSE P14091 1/20 0.43
FAAH O00519 1/20 0.43
TGFBR1 P36897 1/20 0.43
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
MAPT P10636 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
SCHEMBL22650836 0.82 BACE1 (0.48) BACE1KDM4EPKMFPR2GPR119
SCHEMBL28398159 0.81 BACE1 (0.50) BACE1KDM4EPKMFPR2GPR119
SCHEMBL28398168 0.80 BACE1 (0.49) BACE1KDM4EPKMFPR2GPR119
SCHEMBL3505577 0.79 BACE1 (0.46) BACE1KDM4EPKMGPR119TGFBR1
SCHEMBL4777921 0.79 KDM4E (0.54) KDM4EPKMGPR119
SCHEMBL28397415 0.79 KDM4E (0.52) BACE1KDM4EPKMFPR2GPR119
SCHEMBL31630958 0.79 KDM4E (0.48) BACE1KDM4EPKMFPR2GPR119
SCHEMBL17394747 0.79 BACE1 (0.47) BACE1KDM4EPKMGPR119CTSD
SCHEMBL15566847 0.78 GPR119 (0.48) BACE1KDM4EPKMFPR2GPR119
SCHEMBL1589991 0.78 BACE1 (0.47) BACE1KDM4EPKMFPR2GPR119

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-106883217-B Nucleoside base hydroxamic acid derivative compound and preparation method and application thereof 清华大学深圳研究生院 2020-05-22 CN disclosed