Leucine

Leucine

SCHEMBL16397987

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

nearest known ligand 0.47

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 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.47
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 2/20 0.37
DPP4 P27487 3/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PRCP P42785 1/20 0.32
NOS2 P35228 2/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
MMP3 P08254 1/20 0.32

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 SCHEMBL28982265 1.00 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL14966502 0.97 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL14966504 0.97 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL27686470 0.97 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL6376065 0.95 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL4663987 0.95 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL27683632 0.95 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL4612139 0.95 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL756554 0.93 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2SLC1A1DPP4
Leucine SCHEMBL17113855 0.93 SLC7A5 (0.55) 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-2014197816-A1 STIMULUS RESPONSIVE NANOCOMPLEXES AND METHODS OF USE THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-12-11 WO disclosed