SCHEMBL9800490

SCHEMBL9800490

C[C@H](CNC(=N)N)C[C@H](N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A1 P43005 7/20 0.44
SLC1A3 P43003 6/20 0.44
SLC1A2 P43004 6/20 0.44
GRIK1 P39086 3/20 0.38
GRIK2 Q13002 2/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36
GFPT1 Q06210 1/20 0.36

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
SCHEMBL4586895 1.00 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL1504409 1.00 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL28729833 1.00 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL10667207 1.00 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL20198745 0.86 SLC7A5 (0.31) SLC7A5
SCHEMBL9233627 0.83 SLC7A5 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL8845182 0.82 SLC7A5 (0.48) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL27644223 0.81 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL27644228 0.81 SLC7A5 (0.42) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1
SCHEMBL393844 0.81 GFPT1 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2GRIK1

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-0230037-B1 CYTOPROTECTIVE DERIVATIVES USEFUL IN ISCHEMIC DISEASES, THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM ITALFARMACO S.p.A. (IT) 1991-03-06 EP disclosed
US-4789681-A CARDIOPROTECTIVE AGENTS ITALFARMACO S.P.A. (IT) 1988-12-06 US disclosed
EP-0230037-A1 Cytoprotective derivatives useful in ischemic diseases, their preparation and compositions containing them ITALFARMACO S.p.A. (IT) 1987-07-29 EP disclosed