Leucine

Leucine

SCHEMBL14966504

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

nearest known ligand 0.45

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 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 2/20 0.36
DPP4 P27487 3/20 0.32
DPP7 Q9UHL4 2/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
PRCP P42785 1/20 0.31
MMP3 P08254 1/20 0.31

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 SCHEMBL14966502 1.00 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL27686470 1.00 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL28982265 0.97 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL16397987 0.97 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL16348675 0.95 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL1997233 0.95 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL4611635 0.95 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL1997232 0.95 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL1786606 0.94 SLC7A5 (0.51) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL8817376 0.94 SLC7A5 (0.51) SLC7A5SLC1A3SLC1A2SLC1A1DPP4

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
WO-2013074966-A1 USE OF PITUITARY ADENYLATE CYCLASE ACTIVATING POLYPEPTIDE (PACAP) AND PACAP ANALOGS FOR TREATING CONTRAST -INDUSED NEPHROPATHY THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2013-05-23 WO disclosed