SCHEMBL28523430

SCHEMBL28523430

CC(C)(C(N)=O)n1ccc2ncc(-c3cccc(C(F)(F)F)n3)cc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 14/20 0.62
▸ GRIN1 Q05586 4/20 0.62
▸ TGFBR1 P36897 3/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ COMT P21964 1/20 0.39

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
SCHEMBL28687512 0.84 GRIN2B (0.55) GRIN2BGRIN1TGFBR1IRAK4COMT
SCHEMBL28522008 0.81 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL28511602 0.78 GRIN2B (0.53) GRIN2BGRIN1
SCHEMBL21611130 0.77 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL28511559 0.77 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL18363584 0.76 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL18363519 0.73 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL18363255 0.71 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL18363249 0.71 GRIN2B (1.00) GRIN2BGRIN1
SCHEMBL22775600 0.70 GRIN2B (0.72) GRIN2BGRIN1

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 1 patent. 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
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