SCHEMBL21246352

SCHEMBL21246352

C[C@@H](O)C(C(N)=O)N1CC2(CCCCCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
USP19 O94966 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
GRM5 P41594 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
SCHEMBL21246351 1.00 GRIN2B (0.43) GRIN2BGRIN2CUSP19SMN1; SMN2LMNA
SCHEMBL21246354 1.00 GRIN2B (0.43) GRIN2BGRIN2CUSP19SMN1; SMN2LMNA
SCHEMBL21246333 0.87 GRM5 (0.34) GRIN2BGRIN2CUSP19SMN1; SMN2GRM5
SCHEMBL21246334 0.83 USP19 (0.32) GRIN2BGRIN2CUSP19GRM5
SCHEMBL21246335 0.83 USP19 (0.32) GRIN2BGRIN2CUSP19SMN1; SMN2GRM5
SCHEMBL21246349 0.80 USP19 (0.33) USP19GRM5
SCHEMBL21246360 0.79 USP19 (0.32) USP19
SCHEMBL19839437 0.77 GRIN2B (0.50) GRIN2BGRIN2C
SCHEMBL19854377 0.77 GRIN2B (0.50) GRIN2BGRIN2C
SCHEMBL19839438 0.77 GRIN2B (0.50) 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-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed