Leucine

Leucine

SCHEMBL7557530

CC(C)C[C@H](N)C(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

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 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.50
SLC7A5 Q01650 1/20 0.49
SLC1A2 P43004 5/20 0.41
SLC1A3 P43003 4/20 0.41
SLC1A1 P43005 4/20 0.39
GRIK1 P39086 2/20 0.37
GRIK2 Q13002 2/20 0.37
THRB P10828 1/20 0.35
ERAP2 Q6P179 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
RNPEP Q9H4A4 2/20 0.35
TLR2 O60603 1/20 0.34
ARG1 P05089 2/20 0.33
ARG2 P78540 2/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ANPEP P15144 1/20 0.33

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 SCHEMBL19692958 0.94 GSR (0.44) GSRSLC7A5SLC1A2SLC1A3SLC1A1
SCHEMBL16225105 0.89 GSR (0.50) GSRSLC7A5SLC1A2SLC1A3SLC1A1
Lysine SCHEMBL8199478 0.89 GSR (0.65) GSRSLC1A2SLC1A3SLC1A1GRIK1
Phenylalanine SCHEMBL10428532 0.88 ALPI (0.46) GSRSLC7A5SLC1A2SLC1A3SLC1A1
Lysine SCHEMBL8885814 0.86 GSR (0.48) GSRSLC7A5SLC1A2SLC1A3SLC1A1
Alanine SCHEMBL4961214 0.86 GSR (0.59) GSRTHRBRNPEPTLR2ARG1
SCHEMBL9780155 0.85 GSR (0.68) GSRRNPEPTLR2ARG1ARG2
SCHEMBL2821897 0.85 GSR (0.68) GSRRNPEPTLR2ARG1ARG2
Lysine SCHEMBL10428793 0.85 GSR (0.53) GSRSLC7A5SLC1A2SLC1A3SLC1A1
Lysine SCHEMBL8740433 0.84 GSR (0.51) GSRTHRBRNPEPTLR2ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020034570-A1 Cheese flavoring SYMRISE GMBH & CO. KG (DE) 2002-03-21 US disclosed