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
SCHEMBL29479228 0.88 — —
SCHEMBL34705 0.88 — —
SCHEMBL288792 0.88 — —
SCHEMBL34706 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
Hydrochloric Acid SCHEMBL2462827 0.85 — —
Hydrochloric Acid SCHEMBL29401163 0.85 GSR (0.65) GSRSLC1A3SLC1A2SLC1A1GABRR1
Bromide SCHEMBL7013646 0.85 — —

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
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