SCHEMBL20804328

SCHEMBL20804328

CC(C)(C)OC(=O)N1CCCC1(CO)CCCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
CTSK P43235 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
JAK3 P52333 1/20 0.31
CNR2 P34972 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H2 P55055 1/20 0.30
ABCB1 P08183 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
SCHEMBL20330502 0.92 GRIN2B (0.37) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL441772 0.87 GRIN2B (0.37) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL444540 0.84 GRIN2B (0.38) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL28498279 0.82 JAK3 (0.35) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL27092776 0.81 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3CNR2
SCHEMBL21182552 0.81 GRIN2B (0.36) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL443404 0.80 CTSK (0.35) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL2433746 0.80 GRIN2B (0.39) GRIN2BGRIN2CCTSKJAK3CNR2
SCHEMBL28504862 0.79 JAK3 (0.36) GRIN2BGRIN2CCTSKCYP4F2CYP4A11
SCHEMBL444153 0.77 GRIN2B (0.45) GRIN2BGRIN2CCTSKJAK3CNR2

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
EP-2951183-B1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2019-03-13 EP disclosed