SCHEMBL19853687

SCHEMBL19853687

C[C@@H](O)[C@@H](C(N)=O)N1CC2(CCC(NNC(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL19853727 0.89 GRIN2B (0.52) GRIN2BGRIN2CGAA
SCHEMBL21034475 0.89 GRIN2B (0.52) GRIN2BGRIN2CGAA
SCHEMBL19853728 0.78 GRIN2B (0.42) GRIN2BGRIN2C
SCHEMBL27336111 0.77 GRIN2B (0.63) GRIN2BGRIN2C
SCHEMBL24634181 0.77 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL19853735 0.77 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL19853718 0.77 GRIN2B (0.41) GRIN2BGRIN2C
SCHEMBL19839385 0.76 GRIN2B (0.46) GRIN2BGRIN2C
SCHEMBL19854372 0.76 GRIN2B (0.46) GRIN2BGRIN2C
SCHEMBL19839367 0.76 GRIN2B (0.46) 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-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed