SCHEMBL8239554

SCHEMBL8239554

COc1cc(C)c2c(c1)CN([C@@H](C)c1ccc(Cl)cc1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.39
HSD11B1 P28845 5/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 1/20 0.35
EGFR P00533 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AMY1A P0DUB6 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NR3C2 P08235 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL1001744 0.88 ACHE (0.39) HSD11B1MAPK1OPRM1EGFRPOLB
SCHEMBL8272139 0.88 ACHE (0.39) HSD11B1MAPK1OPRM1EGFRPOLB
SCHEMBL2026452 0.83 PIK3CG (0.40) PIK3CGHSD11B1MAPK1OPRM1PIK3CD
SCHEMBL2025196 0.83 PIK3CG (0.40) PIK3CGHSD11B1MAPK1OPRM1PIK3CD
SCHEMBL12413553 0.81 HSD11B1 (0.37) PIK3CGHSD11B1MAPK1MAPT
SCHEMBL2024712 0.78 PIK3CG (0.43) PIK3CGHSD11B1MAPK1PIK3CDPIK3R1
SCHEMBL2024709 0.78 PIK3CG (0.43) PIK3CGHSD11B1MAPK1PIK3CDPIK3R1
SCHEMBL8272138 0.78 HSD11B1 (0.41) PIK3CGHSD11B1MAPK1OPRM1PIK3CD
SCHEMBL2024711 0.78 HSD11B1 (0.41) PIK3CGHSD11B1MAPK1OPRM1PIK3CD
SCHEMBL13628484 0.76 HSD11B1 (0.41) PIK3CGHSD11B1MAPK1OPRM1

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-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO disclosed