Canavanine

Canavanine

SCHEMBL2579370

N=C(N)NOCCC(N)C(=O)O.N=C(N)NOCC[C@H](N)C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
NOS2 P35228 4/20 0.44
NOS3 P29474 3/20 0.44
NOS1 P29475 3/20 0.44
GSR P00390 2/20 0.42
CYP1A2 P05177 2/20 0.42
SLC1A1 P43005 2/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIK1 P39086 1/20 0.42
GRM5 P41594 1/20 0.42
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
SLC1A3 P43003 1/20 0.42

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
Canavanine SCHEMBL151097 1.00 PMP22 (0.45) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL151096 1.00 PMP22 (0.45) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL3920895 0.98 PMP22 (0.44) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL6885258 0.96 PMP22 (0.42) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL6885261 0.96 PMP22 (0.42) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL4299007 0.93 PMP22 (0.43) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL344182 0.93 PMP22 (0.43) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL31230467 0.93 GRM8 (0.50) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL14633382 0.92 PMP22 (0.42) PMP22ALOX15BLMKMT2ANOS2
Canavanine SCHEMBL14633384 0.92 PMP22 (0.42) PMP22ALOX15BLMKMT2ANOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048683-B2 Insect repellent and process for identifying other insect repellent molecules CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2011-11-01 US disclosed
US-5908747-A ISOLATED WILDTYPE GENE IN NUCLEAR CHROMOSOMES CODING A POLYPEPTIDE THAT INDUCES HOMOLOGOUS RECOMBINATION IN MITOCHONDRIA; AGING RESISTANCE AGENT INSTITUTE OF PHYSICAL AND CHEMICAL RESEARCH (JP) 1999-06-01 US disclosed
US-5859295-A Canavanine analogs and their use as chemotherapeutic agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1999-01-12 US disclosed