SCHEMBL28700403

SCHEMBL28700403

CC(C)(C)OC(=O)N1CCc2n[nH]c(C(=O)NCO)c2C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
MTOR P42345 2/20 0.39
MAPT P10636 2/20 0.38
C5AR1 P21730 2/20 0.37
ESR2 Q92731 1/20 0.37
ADORA1 P30542 2/20 0.37
GRAMD1A Q96CP6 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
F12 P00748 1/20 0.37
NR1H2 P55055 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL22068975 0.88 MAPT (0.37) L3MBTL1MTORMAPTC5AR1ESR2
SCHEMBL22068991 0.86 GCK (0.37) L3MBTL1MTORMAPTC5AR1ADORA1
SCHEMBL22715571 0.83 ADORA1 (0.46) MTORMAPTC5AR1ESR2ADORA1
SCHEMBL22069029 0.82 MAPT (0.34) L3MBTL1MTORMAPTC5AR1ESR2
SCHEMBL22069268 0.82 ADORA1 (0.38) L3MBTL1MTORMAPTC5AR1ADORA1
SCHEMBL22029691 0.81 ADORA1 (0.51) MTORMAPTC5AR1ESR2ADORA1
SCHEMBL22727594 0.80 MAPT (0.40) MTORMAPTC5AR1ESR2ADORA1
SCHEMBL22716252 0.80 ADORA1 (0.43) MTORMAPTC5AR1ESR2ADORA1
SCHEMBL22102760 0.80 PARP1 (0.40) MTORMAPTC5AR1ESR2ADORA1
SCHEMBL22738284 0.80 MAPT (0.41) MTORMAPTC5AR1ESR2ADORA1

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-109843892-B Oxadiazepinone derivatives and their use in the treatment of hepatitis B infections 诺维拉治疗公司 2022-01-25 CN disclosed