SCHEMBL31430216

SCHEMBL31430216

CC1(C)OB(c2cc(F)c3c(c2)C2(CCC2)C(=O)N3)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 2/20 0.42
▸ BACE1 P56817 6/20 0.33
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ EPHX2 P34913 1/20 0.30
▸ BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL31515281 0.95 PGR (0.38) PGRBACE1LPLLIPGROCK1
SCHEMBL31117308 0.82 EPHX2 (0.44) PGRBACE1LPLLIPGROCK1
SCHEMBL18319884 0.81 AKR1B1 (0.39) PGR
SCHEMBL31430430 0.79 PDE7A (0.34) PGRBACE1
SCHEMBL23647999 0.76 PGR (0.34) PGRLPLLIPG
SCHEMBL31430232 0.76 PGR (0.46) PGRBACE1EPHX2
SCHEMBL31430345 0.74 LPL (0.33) LPLLIPGROCK1
SCHEMBL31430401 0.74 ROCK1 (0.35) BACE1LPLLIPGROCK1
SCHEMBL18320059 0.74 ALDH1A1 (0.41) PGR
SCHEMBL29621988 0.72 PGR (0.45) PGREPHX2

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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