SCHEMBL31645127

SCHEMBL31645127

CC(C)(C)OC(=O)[C@H]1NC[C@@H]2C[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
NR1H2 P55055 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
RECQL P46063 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
PREP P48147 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
SCHEMBL29286077 0.88 PKM (0.49) PKMSLC1A2SLC1A1CHRNB2CHRNB4
SCHEMBL28896076 0.86 NR1H2 (0.48) PKMNR1H2
SCHEMBL28499974 0.85 PKM (0.39) PKM
SCHEMBL30516975 0.83 MAPK1 (0.36) PKMMAPK1RECQL
SCHEMBL23499281 0.83 MAPK1 (0.36) PKMMAPK1RECQL
SCHEMBL417787 0.81 L3MBTL1 (0.35) PKMSLC1A2SLC1A1L3MBTL1PREP
SCHEMBL6016777 0.81 L3MBTL1 (0.38) PKMSLC1A2SLC1A1L3MBTL1PREP
SCHEMBL2325752 0.81 L3MBTL1 (0.35) PKMSLC1A2SLC1A1L3MBTL1PREP
SCHEMBL14723681 0.81 L3MBTL1 (0.35) PKMSLC1A2SLC1A1L3MBTL1PREP
Hydrochloric Acid SCHEMBL10961983 0.80 L3MBTL1 (0.37) PKML3MBTL1PREP

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-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 WO disclosed