SCHEMBL22946313

SCHEMBL22946313

CC(C)CN1CC2(CN([C@H](C(N)=O)[C@@H](C)O)C2=O)CC12CN([C@H](CN)[C@@H](C)O)C2=O

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 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
SCHEMBL19853348 0.92 GRIN2B (0.46) GRIN2BGRIN2C
SCHEMBL22086443 0.92 GRIN2B (0.46) GRIN2BGRIN2C
SCHEMBL22946679 0.83 GRIN2B (0.43) GRIN2BGRIN2C
SCHEMBL22085792 0.76 GRIN2B (0.49) GRIN2BGRIN2C
SCHEMBL19853351 0.76 GRIN2B (0.49) GRIN2BGRIN2C
SCHEMBL19853347 0.76 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL22087702 0.76 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL24634218 0.75 GRIN2B (0.48) GRIN2BGRIN2C
SCHEMBL19614960 0.74 GRIN2B (0.59) GRIN2BGRIN2C
SCHEMBL19614952 0.74 GRIN2B (0.59) GRIN2BGRIN2C

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
WO-2021021996-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH ELEVATED LEVELS OF ANTIBODIES THAT INTERACT WITH THE NMDA RECEPTOR APTINYX INC. (US) 2021-02-04 WO disclosed