SCHEMBL10514022

SCHEMBL10514022

CC[C@H](C)[C@H](N)C(=O)OCC[C@H](N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 8/20 0.43
▸ SLC1A3 P43003 7/20 0.43
▸ SLC1A1 P43005 7/20 0.43
▸ SLC7A5 Q01650 1/20 0.42
▸ GRIK1 P39086 3/20 0.41
▸ GRIK2 Q13002 3/20 0.41
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ NOD1 Q9Y239 2/20 0.39
▸ GCLC P48506 2/20 0.39
▸ IARS1 P41252 4/20 0.39
▸ GRM8 O00222 1/20 0.38
▸ GRM6 O15303 1/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GSR P00390 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ GRIA1 P42261 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
SCHEMBL19361328 0.84 IARS1 (0.41) IARS1
SCHEMBL23408814 0.84 IARS1 (0.41) IARS1
SCHEMBL27427521 0.82 SLC7A5 (0.45) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL6033505 0.82 SLC7A5 (0.45) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL1537446 0.82 SLC1A3 (0.41) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1
SCHEMBL22392169 0.81 IARS1 (0.38) NOS3NOS1NOS2IARS1
SCHEMBL196042 0.80 IARS1 (0.43) IARS1
SCHEMBL19366508 0.80 IARS1 (0.43) IARS1
SCHEMBL196043 0.80 IARS1 (0.43) IARS1
SCHEMBL4385421 0.79 SLC1A1 (0.43) SLC1A2SLC1A3SLC1A1SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304954-A2 Cyclic dipeptide enantiomers ICI AUSTRALIA LIMITED (AU) 1989-03-01 — — EP claimed
WO-2014134493-A1 BROAD SPECTRUM ANTIBIOTIC COMPOUNDS AND USE THEREOF LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-09-04 — — WO disclosed
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