Leucine

Leucine

SCHEMBL27607014

CC(C)CC(N)C(=O)O.NC(=O)CC(N)C(=O)O.NCC(=O)O

nearest known ligand 0.67

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Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Leucine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.67
SLC1A3 P43003 5/20 0.53
SLC1A2 P43004 5/20 0.53
SLC1A1 P43005 4/20 0.46
CACNA2D1 P54289 2/20 0.44
CACNB3 P54284 1/20 0.44
CACNA1C Q13936 1/20 0.44
PGR P06401 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
CACNA2D2 Q9NY47 1/20 0.44
GRIK1 P39086 6/20 0.42
GRIK2 Q13002 3/20 0.41
GRIA2 P42262 2/20 0.41
GRIA4 P48058 2/20 0.41
GRIK3 Q13003 2/20 0.41
GRIK5 Q16478 2/20 0.41
GRIA1 P42261 1/20 0.41
ALOX15 P16050 1/20 0.39
BLM P54132 1/20 0.39

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
Leucine SCHEMBL2496434 1.00 SLC7A5 (0.67) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
D-Leucine SCHEMBL4958590 0.92 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL4775846 0.92 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL4775848 0.92 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL6130794 0.92 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL6130796 0.92 SLC7A5 (0.78) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
D-Glutamate SCHEMBL28407836 0.91 SLC1A3 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
D-Leucine SCHEMBL1537345 0.90 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL625031 0.90 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
Leucine SCHEMBL2154089 0.90 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1

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
CN-1649899-A Connective tissue stimulating peptides MILLENIUM BIOLOGIX INC (CA) 2005-08-03 CN claimed
CN-1649899-A Connective tissue stimulating peptides MILLENIUM BIOLOGIX INC (CA) 2005-08-03 CN disclosed