SCHEMBL2558591

SCHEMBL2558591

CC(=O)NC(CCc1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
GNPAT O15228 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL24814078 0.91 ALB (0.56) ALBGNPATCTSSCTSKCA12
SCHEMBL7649111 0.87 CNR2 (0.50) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL468905 0.87 GNPAT (0.57) ALBSMN1; SMN2MEN1HTTKMT2A
SCHEMBL468907 0.87 GNPAT (0.57) ALBSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6931278 0.87 GNPAT (0.57) ALBSMN1; SMN2MEN1HTTKMT2A
SCHEMBL24183729 0.84 CNR2 (0.49) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL7432316 0.84 MEN1 (0.49) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL7428179 0.84 MEN1 (0.49) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL11555675 0.84 MEN1 (0.49) SMN1; SMN2MEN1HTTKMT2AHPGD
SCHEMBL6248471 0.83 CTSS (0.61) GNPATCTSSCTSKPAMCTRB1

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
WO-2011130615-A2 PREPARATION OF LACOSAMIDE DR. REDDY'S LABORATORIES LTD. (IN) 2011-10-20 WO disclosed
WO-2010148300-A1 METHODS OF TREATMENT OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-12-23 WO disclosed