SCHEMBL30801674

SCHEMBL30801674

CC(C)C(=O)N1CCCC2(C1)CN([C@H](C(=O)O)[C@@H](C)O)C2=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
ADAM17 P78536 1/20 0.31
JAK3 P52333 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL30801747 0.89 GRIN2B (0.48) GRIN2BGRIN2CMMP2MMP13MMP14
SCHEMBL30801691 0.82 GRIN2B (0.53) GRIN2BGRIN2CMMP2MMP13MMP14
SCHEMBL19839379 0.81 GRIN2B (0.38) GRIN2BGRIN2C
SCHEMBL19839374 0.81 GRIN2B (0.38) GRIN2BGRIN2C
SCHEMBL24338396 0.81 GRIN2B (0.45) GRIN2BGRIN2C
SCHEMBL30801693 0.80 GRIN2B (0.47) GRIN2BGRIN2C
SCHEMBL23342004 0.78 ACACB (0.38) MMP2MMP13MMP14ADAM17
SCHEMBL23342003 0.77 ACACB (0.34) GRIN2BGRIN2CMMP2MMP13MMP14
SCHEMBL23346959 0.76 GRIN2B (0.56) GRIN2BGRIN2CJAK3
SCHEMBL19839353 0.73 GRIN2B (0.34) 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-2024054919-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF TENACIA BIOTECHNOLOGY (HONG KONG) CO., LIMITED (CN) 2024-03-14 WO disclosed