SCHEMBL30714822

SCHEMBL30714822

NC(=O)[C@@H]1COCCN1Cc1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 16/20 0.79
MAOA P21397 14/20 0.63
SPHK1 Q9NYA1 1/20 0.52
PARP15 Q460N3 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28486215 1.00 MAOB (0.79) MAOBMAOASPHK1PARP15PARP14
SCHEMBL30714824 1.00 MAOB (0.79) MAOBMAOASPHK1PARP15PARP14
SCHEMBL28486216 1.00 MAOB (0.79) MAOBMAOASPHK1PARP15PARP14
SCHEMBL28489342 0.88 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL30714827 0.88 MAOB (1.00) MAOBMAOA
SCHEMBL28489341 0.88 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL28488847 0.88 MAOB (1.00) MAOBMAOA
SCHEMBL28488845 0.88 MAOB (1.00) MAOBMAOA
SCHEMBL30714828 0.88 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL30714830 0.88 MAOB (0.79) MAOBMAOASPHK1

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-112010818-B Morpholinamide derivatives and uses thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed