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SCHEMBL29288205

SCHEMBL29288205

NC(=O)[C@@H]1CCN1Cc1ccc(OCc2cccc(Br)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 16/20 0.77
▸ MAOA P21397 14/20 0.77
▸ SPHK1 Q9NYA1 1/20 0.62
▸ PARP15 Q460N3 1/20 0.57
▸ PARP14 Q460N5 1/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ SCN3A Q9NY46 1/20 0.55
▸ FFAR1 O14842 1/20 0.52
▸ FFAR4 Q5NUL3 1/20 0.52

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
SCHEMBL29288207 1.00 MAOB (0.77) MAOBMAOASPHK1PARP15PARP14
SCHEMBL26009688 0.94 MAOB (0.78) MAOBMAOASPHK1PARP15PARP14
SCHEMBL29288203 0.88 MAOB (0.78) MAOBMAOASPHK1SCN3A
SCHEMBL29288199 0.88 MAOB (0.78) MAOBMAOASPHK1SCN3A
SCHEMBL29288190 0.88 MAOB (0.67) MAOBMAOASPHK1SCN3A
SCHEMBL29288187 0.88 MAOB (0.67) MAOBMAOASPHK1SCN3A
SCHEMBL29288210 0.87 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL29288236 0.87 MAOB (0.77) MAOBMAOASPHK1SCN3A
SCHEMBL29288238 0.87 MAOB (1.00) MAOBMAOASPHK1SCN3A
SCHEMBL29288213 0.87 MAOB (1.00) MAOBMAOASPHK1SCN3A

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-108912029-B Nitrogen-containing heterocyclic amide derivative and use thereof 广东东阳光药业有限公司 2021-10-01 — — CN disclosed