SCHEMBL28699350

SCHEMBL28699350

CC(C)(C(N)=O)n1ncc2ncc(-c3ccc(C(F)(F)F)s3)cc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.53
▸ GRIN1 Q05586 18/20 0.53
▸ 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
SCHEMBL21611130 0.83 GRIN2B (0.61) GRIN2BGRIN1CYP2D6
SCHEMBL22775651 0.79 GRIN1 (0.57) GRIN2BGRIN1
SCHEMBL29550534 0.79 GRIN1 (0.57) GRIN2BGRIN1
SCHEMBL27224375 0.79 GRIN2B (0.60) GRIN2BGRIN1CYP2D6
SCHEMBL28687512 0.78 GRIN2B (0.55) GRIN2BGRIN1
SCHEMBL28685442 0.77 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL28736242 0.77 GRIN1 (0.65) GRIN2BGRIN1CYP2D6
SCHEMBL23067637 0.76 GRIN2B (0.63) GRIN2BGRIN1CYP2D6
SCHEMBL29550312 0.76 GRIN2B (0.72) GRIN2BGRIN1CYP2D6
SCHEMBL22775812 0.76 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-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN claimed
CN-113993868-A Substituted pyrazolopyridinamides and their use as modulators of the GLUN2B receptor 詹森药业有限公司 2022-01-28 — — CN disclosed
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