SCHEMBL29670347

SCHEMBL29670347

CC(C)(C)OC(=O)N1CCc2c(n3ncc(CC4CC4)c3[nH]c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F12 P00748 2/20 0.40
DDB1 Q16531 4/20 0.39
CRBN Q96SW2 4/20 0.39
SPR P35270 2/20 0.39
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KRAS P01116 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
HPGDS O60760 1/20 0.35
ADORA1 P30542 2/20 0.35
ESR2 Q92731 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NR1H2 P55055 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
SCHEMBL24469768 0.84 SPR (0.34) SPRPARP1GPR119ELANE
SCHEMBL24469807 0.83 P2RX3 (0.43) F12SPRPARP1TNKS2PARP2
SCHEMBL29670401 0.81 NAMPT (0.40) F12DDB1CRBNSPRPARP1
SCHEMBL24484074 0.81 NAMPT (0.40) F12DDB1CRBNSPRPARP1
SCHEMBL22717415 0.80 GPR119 (0.42) F12SPRPARP1TNKS2PARP2
SCHEMBL22845220 0.79 ABHD6 (0.39) F12SPRPARP1TNKS2PARP2
SCHEMBL24469819 0.72 SPR (0.34) SPRPARP1ELANE
SCHEMBL24469870 0.69 PARP1 (0.37) SPRPARP1NR1H2
SCHEMBL24469848 0.68 P2RX3 (0.42) F12PARP1TNKS2PARP2ADORA1
SCHEMBL26122508 0.67 NR1H2 (0.41) GPR119ESR2MAPTNR1H2

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed