SCHEMBL22650836

SCHEMBL22650836

CC(C)(C)OC(=O)N1CCC(Cn2ccc(N)cc2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.48
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
GPR119 Q8TDV5 11/20 0.46
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
NR1H2 P55055 1/20 0.45
FPR2 P25090 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL15566847 0.87 GPR119 (0.48) BACE1KDM4EPKMGPR119MAPT
SCHEMBL31108104 0.86 FPR2 (0.51) BACE1KDM4EPKMGPR119MAPT
SCHEMBL27077258 0.84 KDM4E (0.52) BACE1KDM4EPKMGPR119
SCHEMBL3505577 0.84 BACE1 (0.46) BACE1KDM4EPKMGPR119NR1H2
SCHEMBL28402009 0.82 BACE1 (0.51) BACE1KDM4EPKMGPR119MAPT
SCHEMBL31630958 0.81 KDM4E (0.48) BACE1KDM4EPKMGPR119MAPT
SCHEMBL21245743 0.80 GPR119 (0.48) BACE1KDM4EGPR119MAPTTHRB
SCHEMBL31108111 0.80 IDO1 (0.46) KDM4EPKMGPR119MAPTTHRB
SCHEMBL28397415 0.79 KDM4E (0.52) BACE1KDM4EPKMGPR119MAPT
SCHEMBL7808872 0.78 NR1H2 (0.44) BACE1KDM4EPKMGPR119NR1H2

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed