SCHEMBL23128331

SCHEMBL23128331

C[C@H](CC(N)=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ECE1 P42892 1/20 0.31
MAPK1 P28482 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
SCHEMBL30861202 1.00 LMNA (0.33) LMNACHRM2CHRM4CHRM5CHRM1
SCHEMBL2873742 0.79 PGD (0.37) LMNACHRM1TSHRMAPTMAPK1
SCHEMBL8245161 0.79 PGD (0.37) LMNACHRM1TSHRMAPTMAPK1
SCHEMBL19502229 0.77 MAPK1 (0.30) MAPK1
SCHEMBL16478507 0.76 TSHR (0.39) TSHRMAPT
SCHEMBL1698587 0.73
SCHEMBL23010725 0.73
SCHEMBL14469851 0.72
SCHEMBL16342321 0.72 MAPT (0.40) LMNATSHRMAPT
SCHEMBL14615689 0.71 LMNA (0.56) LMNACHRM2CHRM4CHRM5CHRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3916003-A1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME Naurex, Inc. (US) 2021-12-01 EP disclosed
EP-3171941-B1 N-METHYL-D-ASPARTATE RECEPTOR MODULATORS AND METHODS OF MAKING AND USING SAME NAUREX INC (US) 2021-03-24 EP disclosed