Asparagine

Asparagine

SCHEMBL19259348

NC(=O)C[C@H](N)C(=O)O.NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.53
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
GRM1 Q13255 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL18075525 0.96 ECE1 (0.56) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL15461 0.96 ECE1 (0.56) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL150536 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL7258586 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL31182997 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL6852847 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL6136566 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL7148009 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL1246595 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2
SCHEMBL9752652 0.93 ECE1 (0.53) ECE1ITGB2ICAM1ITGALCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615502-A1 THERAPEUTIC COMPOUNDS AND METHODS University Of Tasmania (AU) 2020-03-04 EP disclosed
EP-3416975-A1 NOVEL ALPHA CONOTOXIN PEPTIDES The University of Queensland (AU) 2018-12-26 EP disclosed
WO-2018191789-A1 THERAPEUTIC COMPOUNDS AND METHODS UNIVERSITY OF TASMANIA (AU) 2018-10-25 WO disclosed
WO-2017139845-A1 NOVEL ALPHA CONOTOXIN PEPTIDES THE UNIVERSITY OF QUEENSLAND (AU) 2017-08-24 WO disclosed