SCHEMBL30525229

SCHEMBL30525229

Nc1ccc2c(c1)C(=O)OC2Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ MAOB P27338 2/20 0.40

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
SCHEMBL30525255 0.90 ATM (0.36) —
SCHEMBL30525236 0.88 — —
SCHEMBL30525241 0.85 ADORA2A (0.36) —
SCHEMBL30525256 0.84 MAOB (0.40) MAOB
SCHEMBL29122596 0.82 — —
SCHEMBL30525252 0.82 ADORA2A (0.45) —
SCHEMBL29123132 0.80 ADORA2A (0.39) MAOB
SCHEMBL29122943 0.80 ADORA2A (0.39) MAOB
SCHEMBL29123342 0.74 MAOB (0.44) MAOB
SCHEMBL30525257 0.74 MAOB (0.37) MAOB

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-116535397-A Isobenzofuran-1 (3H) -one compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2023-08-04 — — CN disclosed
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