Leucine

Leucine

SCHEMBL4616828

CC(C)C[C@H](N)C(=O)O.C[C@@H](O)[C@H](N)C(=O)O.NCC(=O)O.N[C@@H](CS)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
PTGS1 P23219 1/20 0.33
SLC7A11 Q9UPY5 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
REN P00797 1/20 0.30

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 SCHEMBL28337257 0.96 SLC7A5 (0.35) SLC7A5PTGS1SLC7A11
Leucine SCHEMBL196371 0.92 MEN1 (0.34) SLC7A5
Leucine SCHEMBL27660747 0.90 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2REN
Leucine SCHEMBL6463330 0.90 SLC7A5 (0.46) SLC7A5SLC1A3SLC1A2REN
Threonine SCHEMBL23270196 0.90 PTGS1 (0.41) PTGS1SLC7A11
Leucine SCHEMBL23270193 0.89 SLC7A5 (0.47) SLC7A5PTGS1SLC7A11SLC1A3SLC1A2
Leucine SCHEMBL28521469 0.89 SLC7A5 (0.47) SLC7A5PTGS1SLC7A11SLC1A3SLC1A2
D-Glutamate SCHEMBL28920113 0.89 SLC1A3 (0.37) SLC7A5SLC1A3SLC1A2REN
Leucine SCHEMBL27509633 0.89 SLC7A5 (0.37) SLC7A5SLC1A3SLC1A2REN
Leucine SCHEMBL1675456 0.88 SLC7A5 (0.49) SLC7A5SLC1A3SLC1A2REN

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-1896081-A1 HUMAN GRANULOCYTE-COLONY STIMULATING FACTOR ISOFORMS CJ Corp. (KR) 2008-03-12 EP disclosed
WO-2006135176-A1 HUMAN GRANULOCYTE-COLONY STIMULATING FACTOR ISOFORMS CJ CORPORATION (KR) 2006-12-21 WO disclosed