Leucine

Leucine

SCHEMBL21634011

CC(C)CC(N)C(=O)O.O=C([O-])c1ccccc1.[Na+]

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CACNA1CCACNA1DCACNA1FCACNA1SDPP4HTR1BHTR1D

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 2/20 0.58
▸ CA2 P00918 1/20 0.55
▸ CA4 P22748 1/20 0.55
▸ ANPEP P15144 1/20 0.48
▸ RNPEP Q9H4A4 1/20 0.48
▸ DNPEP Q9ULA0 1/20 0.48
▸ SLC1A3 P43003 3/20 0.47
▸ SLC1A2 P43004 3/20 0.47
▸ LARS1 Q9P2J5 1/20 0.46
▸ SLC1A1 P43005 2/20 0.45
▸ GRM2 Q14416 2/20 0.45
▸ GRM3 Q14832 2/20 0.45
▸ ALPI P09923 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ LTA4H P09960 1/20 0.42
▸ GRIK1 P39086 2/20 0.41
▸ ELANE P08246 1/20 0.41
▸ GRIK2 Q13002 1/20 0.41

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 SCHEMBL28833029 0.85 SLC7A5 (0.64) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Leucine SCHEMBL9068238 0.83 SLC7A5 (0.62) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Benzophenone SCHEMBL29159318 0.83 SLC7A5 (0.62) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Benzoic Acid SCHEMBL21385347 0.81 CA2 (0.61) SLC7A5CA2CA4SLC1A3SLC1A2
Naphthalene SCHEMBL8050416 0.81 SLC7A5 (0.69) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Naphthalene SCHEMBL8050413 0.81 SLC7A5 (0.69) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Leucine SCHEMBL29269093 0.80 SLC7A5 (0.82) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
Leucine SCHEMBL21141614 0.80 SLC7A5 (0.67) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Leucine SCHEMBL4551207 0.80 SLC7A5 (0.67) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Anthraquinone SCHEMBL27983864 0.78 SLC7A5 (0.64) SLC7A5ANPEPRNPEPDNPEPSLC1A3

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-3829567-A1 CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS With Great Power, LLC (US) 2021-06-09 — — EP disclosed
WO-2020023800-A1 CLINICAL METHODS AND PHARMACEUTICAL COMPOSITIONS EMPLOYING AMPA RECEPTOR ANTAGONISTS TO TREAT GLIOBLASTOMA AND OTHER CANCERS WITH GREAT POWER, LLC (US) 2020-01-30 — — WO disclosed
Send feedback