SCHEMBL28834825

SCHEMBL28834825

Cc1cc2ccc(OC3CCOC3)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
SOS1 Q07889 3/20 0.41
PDE2A O00408 2/20 0.40
PDE10A Q9Y233 2/20 0.40
GRM5 P41594 6/20 0.38
HRH3 Q9Y5N1 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
LRRK2 Q5S007 2/20 0.37

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
SCHEMBL28834823 1.00 MAOB (0.44) MAOBMAOASOS1PDE2APDE10A
SCHEMBL29901763 1.00 MAOB (0.44) MAOBMAOASOS1PDE2APDE10A
SCHEMBL30230082 0.77 MAOB (0.43) MAOBMAOA
SCHEMBL18551173 0.77 MAOB (0.43) MAOBMAOA
SCHEMBL18551437 0.77 MAOB (0.43) MAOBMAOA
SCHEMBL18551172 0.75 MAOB (0.41) MAOBMAOA
SCHEMBL14311598 0.75 SLC6A2 (0.55) SOS1PDE2APDE10AGRM5LRRK2
SCHEMBL21443397 0.74 LRRK2 (0.43) PDE2APDE10AGRM5HRH3LRRK2
SCHEMBL13993826 0.74 LRRK2 (0.43) PDE2APDE10AGRM5HRH3LRRK2
SCHEMBL7760091 0.74 LRRK2 (0.43) PDE2APDE10AGRM5HRH3LRRK2

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
CN-115028644-A SOS1 inhibitor heterocyclic compounds 首药控股(北京)股份有限公司 2022-09-09 CN disclosed