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SCHEMBL29635405

SCHEMBL29635405

Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3cccc(C(F)(F)F)c3)cnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 20/20 1.00
▸ GRIN2B Q13224 20/20 1.00
▸ CYP2D6 P10635 1/20 0.70

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
SCHEMBL20130140 1.00 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20130054 0.98 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL29635439 0.98 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL29635421 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29635430 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20130048 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20129969 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20130051 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29635500 0.88 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL31008716 0.87 GRIN2B (0.77) GRIN1GRIN2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989164-A Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-09-02 — — CN claimed
CN-110062761-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2022-05-13 — — CN claimed
CN-114989164-B Substituted 1H-imidazo [4,5-b ] pyridin-2 (3H) -ones and uses thereof 詹森药业有限公司 2024-08-13 — — CN disclosed