SCHEMBL29650540

SCHEMBL29650540

CNC(=O)[C@@H](NCN1CC2(CCCN2C(=O)OC(C)(C)C)C1=O)[C@@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.54
GRIN2C Q14957 1/20 0.54
TSHR P16473 1/20 0.34
JAK3 P52333 2/20 0.33
MMP3 P08254 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL29650569 0.88 GRIN2B (0.53) GRIN2BGRIN2CTSHRJAK3
SCHEMBL17351873 0.78 GRIN2B (0.61) GRIN2BGRIN2CTSHRJAK3
SCHEMBL17359174 0.78 GRIN2B (0.61) GRIN2BGRIN2CTSHRJAK3
SCHEMBL19134413 0.78 GRIN2B (0.61) GRIN2BGRIN2CTSHRJAK3
SCHEMBL15937148 0.78 GRIN2B (0.59) GRIN2BGRIN2CJAK3
SCHEMBL15937196 0.75 GRIN2B (0.53) GRIN2BGRIN2CJAK3
SCHEMBL15937072 0.74 GRIN2B (0.55) GRIN2BGRIN2CJAK3
SCHEMBL20126632 0.73 GRIN2B (0.56) GRIN2BGRIN2CTSHRJAK3
SCHEMBL21466075 0.73 GRIN2B (0.63) GRIN2BGRIN2CJAK3
SCHEMBL15937080 0.72 GRIN2B (0.52) GRIN2BGRIN2CJAK3

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-109661398-B Spiro-lactam and di-spiro-lactam NMDA receptor modulators and uses thereof 阿普廷伊克斯股份有限公司 2022-07-05 CN disclosed