SCHEMBL9608532

SCHEMBL9608532

C=C(C)N[C@H](COC)C(=O)NCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.80
CA1 P00915 1/20 0.80
CA2 P00918 1/20 0.80
CA3 P07451 1/20 0.80
CA4 P22748 1/20 0.80
CA6 P23280 1/20 0.80
CA5A P35218 1/20 0.80
CA7 P43166 1/20 0.80
CACNA1C Q13936 1/20 0.80
SCN9A Q15858 1/20 0.80
CA9 Q16790 1/20 0.80
CA13 Q8N1Q1 1/20 0.80
CA14 Q9ULX7 1/20 0.80
CA5B Q9Y2D0 1/20 0.80
ATM Q13315 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
ANPEP P15144 3/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
Lacosamide SCHEMBL35330 0.89 CA12 (1.00) CA12CA1CA2CA3CA4
Lacosamide SCHEMBL223961 0.89 CA12 (1.00) CA12CA1CA2CA3CA4
Lacosamide SCHEMBL225889 0.89 CA12 (1.00) CA12CA1CA2CA3CA4
Lacosamide SCHEMBL28184085 0.87 CA12 (0.97) CA12CA1CA2CA3CA4
SCHEMBL527808 0.87 CA12 (0.81) CA12CA1CA2CA3CA4
SCHEMBL14931211 0.87 CA12 (0.81) CA12CA1CA2CA3CA4
SCHEMBL8601669 0.86 CA12 (0.94) CA12CA1CA2CA3CA4
SCHEMBL18080796 0.84 CA12 (0.77) CA12CA1CA2CA3CA4
SCHEMBL10070442 0.84 CA12 (0.68) CA12CA1CA2CA3CA4
SCHEMBL2319131 0.83 CA12 (0.75) CA12CA1CA2CA3CA4

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-2012069855-A1 PROCESS FOR THE PREPARATION OF LACOSAMIDE CAMBREX KARLSKOGA AB (SE) 2012-05-31 WO disclosed