SCHEMBL29254646

SCHEMBL29254646

COc1cc(C=C2Oc3cc(OCCN4CCOCC4)ccc3C2=O)ccc1Oc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.55
▸ MAOB P27338 2/20 0.54

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
SCHEMBL29254631 0.87 PNLIP (0.61) MAOB
SCHEMBL29255381 0.87 PNLIP (0.55) ACHEMAOB
SCHEMBL29254663 0.87 PNLIP (0.56) MAOB
SCHEMBL29254650 0.86 MAOB (0.59) MAOB
SCHEMBL29254651 0.85 ESRRB (0.57) MAOB
SCHEMBL29255095 0.85 MAOB (0.60) MAOB
SCHEMBL29254648 0.81 ESRRA (0.57) MAOB
SCHEMBL29254664 0.80 MEN1 (0.61) ACHEMAOB
SCHEMBL29255027 0.80 ESRRA (0.56) MAOB
SCHEMBL29254644 0.80 CXCL12 (0.59) 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-118307504-A Orange ketone derivative or analogue, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-07-09 — — CN disclosed
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