SCHEMBL12436617

SCHEMBL12436617

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.35
CHRM2 P08172 4/20 0.33
CHRM4 P08173 4/20 0.33
CHRM5 P08912 4/20 0.33
CHRM1 P11229 4/20 0.33
CHRM3 P20309 4/20 0.33
TGFBR1 P36897 1/20 0.32
MMP1 P03956 1/20 0.31
MMP13 P45452 1/20 0.31
RNPEP Q9H4A4 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
SCHEMBL468809 1.00 OR51E2 (0.35) OR51E2CHRM2CHRM4CHRM5CHRM1
SCHEMBL468810 1.00 OR51E2 (0.35) OR51E2CHRM2CHRM4CHRM5CHRM1
SCHEMBL5044801 0.82 CHRM1 (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14195450 0.81 CHRM1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15223866 0.79 MMP1 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7648952 0.79 KDM4E (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9731938 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7648945 0.79 KDM4E (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29974453 0.79 TDP1 (0.39) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9731942 0.79 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2011095995-A1 A PROCESS FOR THE PREPARATION OF LACOSAMIDE NATCO PHARMA LIMITED (IN) 2011-08-11 WO disclosed