SCHEMBL28560849

SCHEMBL28560849

CCCNc1c(N)cc(C(N)=O)cc1OC(C)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.35
GPR119 Q8TDV5 6/20 0.34
PDE4B Q07343 3/20 0.34
DPP4 P27487 1/20 0.34
USP30 Q70CQ3 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NR1H2 P55055 1/20 0.33
PARP14 Q460N5 1/20 0.32
P2RX3 P56373 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
NAMPT P43490 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL28556408 0.87 MAPT (0.36) PDE4DGPR119PDE4BDPP4USP30
SCHEMBL28557043 0.83 CHEK2 (0.38) PDE4DGPR119PDE4BUSP30PDE4A
SCHEMBL28560847 0.82 CHEK2 (0.38) PDE4DGPR119PDE4BUSP30PDE4A
SCHEMBL22857826 0.79 SCN9A (0.42) PDE4DGPR119PDE4BUSP30PDE4A
SCHEMBL28562237 0.73 PDK1 (0.38) GPR119PDE4BNR1H2
SCHEMBL28548767 0.71 MAPT (0.37) GPR119PDE4BNR1H2NAMPT
SCHEMBL22857887 0.71 STING1 (0.42)
SCHEMBL22857866 0.70 STING1 (0.46)
SCHEMBL28556407 0.70 MAPT (0.36) GPR119PDE4BNR1H2NAMPT
SCHEMBL22857823 0.69 CA12 (0.43)

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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed