SCHEMBL28511602

SCHEMBL28511602

CC(C)(C(N)=O)n1ccc2ncc(-c3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 20/20 0.53
▸ GRIN1 Q05586 3/20 0.41

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
SCHEMBL28511559 0.81 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL28522008 0.80 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL21611130 0.79 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL28523430 0.78 GRIN2B (0.62) GRIN2BGRIN1
SCHEMBL28519237 0.77 GRIN2B (0.55) GRIN2B
SCHEMBL17362135 0.70 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL21611149 0.68 GRIN2B (0.60) GRIN2BGRIN1
SCHEMBL16302832 0.67 GRIN2B (0.61) GRIN2BGRIN1
SCHEMBL18363360 0.66 GRIN2B (1.00) GRIN2B
SCHEMBL28756665 0.66 CYP11B1 (0.39) —

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
Send feedback