SCHEMBL22717883

SCHEMBL22717883

CCOC(=C=C=O)CN(C)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
F12 P00748 3/20 0.33
PDE10A Q9Y233 1/20 0.33
C5AR1 P21730 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
MAPT P10636 1/20 0.32
MTOR P42345 1/20 0.32
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP2 Q9UGN5 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
ESR2 Q92731 1/20 0.31
NR1H2 P55055 1/20 0.30

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
SCHEMBL22029606 0.84 ADORA1 (0.38) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22029563 0.80 PDE10A (0.39) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22029691 0.79 ADORA1 (0.51) ADORA1F12C5AR1DDB1CRBN
SCHEMBL22102760 0.78 PARP1 (0.40) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22069271 0.78 ADORA1 (0.39) ADORA1F12PDE10AC5AR1MAPT
SCHEMBL22069457 0.77 ADORA1 (0.38) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22716252 0.76 ADORA1 (0.43) ADORA1F12C5AR1DDB1CRBN
SCHEMBL22068976 0.74 PDE10A (0.36) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22715571 0.74 ADORA1 (0.46) ADORA1F12PDE10AC5AR1DDB1
SCHEMBL22624658 0.73 DDB1 (0.36) ADORA1F12PDE10AC5AR1DDB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976617-B1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2025-04-23 EP disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed