SCHEMBL30532136

SCHEMBL30532136

CN(C)C(=O)Cn1c(=O)n(C)c2ncc(-c3ccc(C(F)(F)F)s3)cc21

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 0.72

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
SCHEMBL20134122 1.00 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20134107 0.90 GRIN2B (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL31008725 0.90 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL20134102 0.90 GRIN1 (1.00) GRIN1GRIN2BCYP2D6
SCHEMBL31008666 0.89 GRIN1 (0.80) GRIN1GRIN2BCYP2D6
SCHEMBL20129955 0.89 GRIN1 (0.80) GRIN1GRIN2BCYP2D6
SCHEMBL20130005 0.87 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20129966 0.87 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20130009 0.86 GRIN2B (1.00) GRIN1GRIN2B
SCHEMBL20134430 0.85 GRIN1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP claimed
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed