Leucine

Leucine

SCHEMBL3724834

C1CCC(NC2CCCCC2)CC1.CC(C)CC(N)C(=O)O

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.60
SLC1A3 P43003 3/20 0.49
SLC1A2 P43004 3/20 0.49
GRIK1 P39086 2/20 0.43
EPHX1 P07099 1/20 0.42
SLC1A1 P43005 2/20 0.42
DPP7 Q9UHL4 2/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CPA1 P15085 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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 SCHEMBL3724837 1.00 SLC7A5 (0.60) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL6369629 0.86 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL6369626 0.86 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL6882071 0.84 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2GRIK1EPHX1
Leucine SCHEMBL27975821 0.83 SLC7A5 (0.64) SLC7A5SLC1A3SLC1A2GRIK1SLC1A1
Aspartic Acid SCHEMBL27975470 0.83 GRIK1 (0.49) GRIK1DPP7GRIK2ALDH1A1HSD17B10
Aspartic Acid SCHEMBL7422744 0.83 GRIK1 (0.49) GRIK1DPP7GRIK2ALDH1A1HSD17B10
Aspartic Acid SCHEMBL7422755 0.83 GRIK1 (0.49) GRIK1DPP7GRIK2ALDH1A1HSD17B10
Aspartic Acid SCHEMBL7422749 0.83 GRIK1 (0.49) GRIK1DPP7GRIK2ALDH1A1HSD17B10
Leucine SCHEMBL7414158 0.83 SLC7A5 (0.55) SLC7A5SLC1A3SLC1A2GRIK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2707347-A1 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Inc. (US) 2014-03-19 EP disclosed
EP-2576508-A2 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2013-04-10 EP disclosed
WO-2012158513-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-22 WO disclosed
CN-101291909-B Processes and intermediates VERTEX PHARMA 2012-09-05 CN disclosed
EP-2477966-A1 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2012-07-25 EP disclosed
CN-102382170-A Method for preparation of protease inhibitors and intermediates VERTEX PHARMA 2012-03-21 CN disclosed
WO-2011153423-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-08 WO disclosed
WO-2010126881-A1 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 WO disclosed
CN-101291909-A Processes and intermediates VERTEX PHARMA (US) 2008-10-22 CN disclosed
EP-1934179-A2 PROCESSES AND INTERMEDIATES Vertex Pharmaceuticals Incorporated (US) 2008-06-25 EP disclosed
WO-2007022459-A2 PROCESSES AND INTERMEDIATES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-02-22 WO disclosed