SCHEMBL21611130

SCHEMBL21611130

CC(C)(C(N)=O)n1ccc2ncc(-c3ccc(C(F)(F)F)s3)cc21

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.61
▸ GRIN1 Q05586 18/20 0.61
▸ CYP2D6 P10635 1/20 0.45

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
SCHEMBL28699350 0.83 GRIN2B (0.53) GRIN2BGRIN1CYP2D6
SCHEMBL28511602 0.79 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL28511559 0.78 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL28523430 0.77 GRIN2B (0.62) GRIN2BGRIN1
SCHEMBL28522008 0.77 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL28736242 0.77 GRIN1 (0.65) GRIN2BGRIN1CYP2D6
SCHEMBL23067637 0.76 GRIN2B (0.63) GRIN2BGRIN1CYP2D6
SCHEMBL18363580 0.76 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL22775812 0.69 GRIN2B (0.72) GRIN2BGRIN1CYP2D6
SCHEMBL29550312 0.69 GRIN2B (0.72) GRIN2BGRIN1CYP2D6

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
CN-108026094-B Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2021-02-09 — — CN claimed
EP-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 — — EP disclosed
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