SCHEMBL29635488

SCHEMBL29635488

Cn1c(=O)n(CC(=O)N2CCC2)c2cc(-c3csc(C(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 0.60

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
SCHEMBL20130023 1.00 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20130032 0.89 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20130027 0.86 GRIN1 (0.76) GRIN1GRIN2BCYP2D6
SCHEMBL29635505 0.85 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20134439 0.85 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20130019 0.84 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20130044 0.84 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL29635449 0.84 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL29635416 0.84 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20130029 0.83 GRIN1 (1.00) GRIN1GRIN2B

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