SCHEMBL31430285

SCHEMBL31430285

CC1(C)OB(c2ccc3c(c2)CC2(CC2)C(=O)N3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.39
▸ OTUD7B Q6GQQ9 12/20 0.36
▸ LPL P06858 2/20 0.36
▸ LIPG Q9Y5X9 2/20 0.36
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL31243804 0.77 AHR (0.49) LPLLIPG
SCHEMBL454535 0.77 AHR (0.49) LPLLIPG
SCHEMBL31430239 0.76 BACE1 (0.31) BACE1
SCHEMBL31430401 0.76 ROCK1 (0.35) BACE1LPLLIPG
SCHEMBL422134 0.76 PDE3B (0.44) —
SCHEMBL31430278 0.75 PGR (0.44) BACE1LPLLIPGPRMT5WDR77
SCHEMBL4291778 0.75 PGR (0.44) BACE1LPLLIPGPRMT5WDR77
SCHEMBL429226 0.75 PDE3B (0.51) BACE1LPLLIPGPRMT5WDR77
SCHEMBL14659577 0.75 CYP11B1 (0.47) BACE1LPLLIPGPRMT5WDR77
SCHEMBL30684519 0.75 CYP11B1 (0.47) BACE1LPLLIPGPRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025092818-A1 PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE 康百达(四川)生物医药科技有限公司 2025-05-08 — — WO disclosed
CN-119462695-A Pyridine derivative and application thereof 康百达(四川)生物医药科技有限公司 2025-02-18 — — CN disclosed
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