Leucine

Leucine

SCHEMBL15323686

CC(C)C[C@H](N)C(=O)O.CO.CSCC[C@H](N)C(=O)O.NCC(=O)O

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.56
BHMT Q93088 10/20 0.46
SLC1A3 P43003 4/20 0.46
SLC1A2 P43004 4/20 0.46
BHMT2 Q9H2M3 1/20 0.45
SLC1A1 P43005 3/20 0.44
RNPEP Q9H4A4 1/20 0.40
FOLH1 Q04609 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GSR P00390 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRIK1 P39086 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 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 SCHEMBL15323684 1.00 SLC7A5 (0.56) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL15323403 0.94 SLC7A5 (0.64) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL15323407 0.94 SLC7A5 (0.64) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL23924432 0.92 SLC7A5 (0.67) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL9714739 0.92 SLC7A5 (0.67) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL1352748 0.92 SLC7A5 (0.67) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL1352746 0.92 SLC7A5 (0.67) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL15323179 0.90 SLC7A5 (0.49) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL15323183 0.90 SLC7A5 (0.49) SLC7A5BHMTSLC1A3SLC1A2BHMT2
Leucine SCHEMBL10439303 0.89 SLC7A5 (0.58) SLC7A5BHMTSLC1A3SLC1A2BHMT2

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-2836832-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA Wayne State University (US) 2015-02-18 EP disclosed
WO-2013155458-A1 EARLY TRIMESTER SCREENING FOR EARLY- AND LATE-ONSET PREECLAMPSIA WAYNE STATE UNIVERSITY (US) 2013-10-17 WO disclosed