SCHEMBL24920547

SCHEMBL24920547

COCc1ccnc(N2CC(CO)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
HCRTR1 O43613 6/20 0.35
HCRTR2 O43614 6/20 0.35
PDE10A Q9Y233 2/20 0.35
RXRA P19793 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2B Q13224 4/20 0.34
ACACB O00763 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
RBP4 P02753 1/20 0.34
TTR P02766 1/20 0.34
LRRK2 Q5S007 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL24920527 0.90 ACACB (0.44) AOC3PDE10AACACBRBP4TTR
SCHEMBL24920529 0.87 AOC3 (0.36) AOC3PDE10ARXRAGRIN1GRIN2B
SCHEMBL24921022 0.84 AOC3 (0.38) AOC3HCRTR1HCRTR2RXRAGRIN1
SCHEMBL22262510 0.83 AOC3 (0.33) AOC3HCRTR1HCRTR2PDE10AACACB
SCHEMBL24921790 0.83 AOC3 (0.39) AOC3HCRTR1HCRTR2RXRAGRIN1
SCHEMBL20745928 0.81 NR1H2 (0.39) AOC3HCRTR1HCRTR2PDE10ARBP4
SCHEMBL24921046 0.80 AOC3 (0.38) AOC3HCRTR1HCRTR2PDE10ARXRA
SCHEMBL24920546 0.78 AOC3 (0.37) AOC3HCRTR1HCRTR2RXRAGRIN1
SCHEMBL24921040 0.78 AOC3 (0.44) AOC3PDE10ARXRAGRIN1GRIN2B
SCHEMBL24921023 0.78 AOC3 (0.44) AOC3RXRAGRIN1GRIN2B

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-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed