SCHEMBL31038409

SCHEMBL31038409

O=C(c1ccc2ncc(-c3ccc4c(Cl)nccc4c3)nc2c1)N1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 20/20 0.75
▸ ACHE P22303 1/20 0.68
▸ PDE4D Q08499 1/20 0.68

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
SCHEMBL20456898 1.00 HPGD (0.75) HPGDACHEPDE4D
SCHEMBL25941424 0.86 HPGD (0.72) HPGDACHEPDE4D
SCHEMBL20467435 0.86 HPGD (0.71) HPGDACHEPDE4D
SCHEMBL20467520 0.86 HPGD (1.00) HPGDACHEPDE4D
SCHEMBL20467519 0.83 HPGD (1.00) HPGD
SCHEMBL25941490 0.83 HPGD (0.87) HPGD
SCHEMBL20467518 0.83 HPGD (1.00) HPGD
SCHEMBL20456886 0.83 HPGD (1.00) HPGD
SCHEMBL31038422 0.83 HPGD (1.00) HPGD
SCHEMBL20467431 0.82 HPGD (1.00) HPGDACHEPDE4D

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-118480009-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2024-08-13 — — CN disclosed
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