SCHEMBL47280

SCHEMBL47280

CC(=O)N[C@H](CN)C(=O)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.72
CA2 P00918 2/20 0.72
CA12 O43570 1/20 0.72
CA3 P07451 1/20 0.72
CA4 P22748 1/20 0.72
CA6 P23280 1/20 0.72
CA5A P35218 1/20 0.72
CA7 P43166 1/20 0.72
CACNA1C Q13936 1/20 0.72
SCN9A Q15858 1/20 0.72
CA9 Q16790 1/20 0.72
CA13 Q8N1Q1 1/20 0.72
CA14 Q9ULX7 1/20 0.72
CA5B Q9Y2D0 1/20 0.72
ALDH1A1 P00352 1/20 0.58
CTSS P25774 1/20 0.56
CTSK P43235 1/20 0.56
EGFR P00533 1/20 0.55
SRC P12931 1/20 0.55
MME P08473 1/20 0.50

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
SCHEMBL21731734 1.00 CA1 (0.72) CA1CA2CA12CA3CA4
SCHEMBL12240240 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL1697369 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL2742289 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL2606494 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL47275 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL8205298 0.86 CA12 (0.74) CA1CA2CA12CA3CA4
SCHEMBL7356728 0.85 CA12 (0.72) CA1CA2CA12CA3CA4
SCHEMBL22905316 0.84 CA1 (0.70) CA1CA2CA12CA3CA4
Lacosamide SCHEMBL223961 0.84 CA12 (1.00) CA1CA2CA12CA3CA4

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-2012001710-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LACOSAMIDE SUN PHARMACEUTICAL INDUSTRIES LTD (IN) 2012-01-05 WO disclosed