SCHEMBL4702263

SCHEMBL4702263

CCC(N)C(=O)O.NCCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 2/20 0.56
SLC1A3 P43003 3/20 0.48
SLC1A2 P43004 3/20 0.48
SLC1A1 P43005 3/20 0.48
GABRR1 P24046 2/20 0.48
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIK3 Q13003 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
SCHEMBL34705 0.88
SCHEMBL288792 0.88
SCHEMBL34706 0.88
SCHEMBL29479228 0.88
Ornithine SCHEMBL29775313 0.87 GSR (0.69) GSRSLC1A3SLC1A2SLC1A1GRIK1
Ornithine Aketoglutarate SCHEMBL27972338 0.87 GSR (0.69) GSRSLC1A3SLC1A2SLC1A1GRIK1
Acetic Acid SCHEMBL6424774 0.86 GSR (0.60) GSRSLC1A3SLC1A2SLC1A1GABRR1
Bromide SCHEMBL7013646 0.85
Hydrochloric Acid SCHEMBL318747 0.85 GSR (0.65) GSRSLC1A3SLC1A2SLC1A1GABRR1
Hydrochloric Acid SCHEMBL29401163 0.85 GSR (0.65) GSRSLC1A3SLC1A2SLC1A1GABRR1

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
EP-1678133-A4 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIV WESTERN SYDNEY (AU) 2008-06-18 EP disclosed
EP-1678133-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES University of Western Sydney (AU) 2006-07-12 EP disclosed
WO-2005033077-A1 SEQUENCE SELECTIVE PYRROLE AND IMIDAZOLE POLYAMIDE METALLOCOMPLEXES UNIVERSITY OF WESTERN SYDNEY (AU) 2005-04-14 WO disclosed