Leucine

Leucine

SCHEMBL11024352

CC(C)C[C@H](N)C(=O)O.O=S(=O)(O)c1ccccc1

nearest known ligand 0.60

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Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

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 18)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 5/20 0.60
SLC7A5 Q01650 2/20 0.58
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ANPEP P15144 1/20 0.48
RNPEP Q9H4A4 1/20 0.48
DNPEP Q9ULA0 1/20 0.48
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
CASR P41180 2/20 0.46
SLC1A1 P43005 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM3 Q14832 1/20 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
KYNU Q16719 1/20 0.42

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 SCHEMBL11803673 1.00 LARS1 (0.60) LARS1SLC7A5TSHRSMN1; SMN2ANPEP
Leucine SCHEMBL21352573 0.89 LARS1 (0.49) LARS1SLC7A5ANPEPRNPEPDNPEP
Leucine SCHEMBL16464665 0.88 SLC7A5 (0.55) LARS1SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL9592701 0.88 SLC7A5 (0.55) LARS1SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL29575582 0.88 SLC7A5 (0.55) LARS1SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL30462445 0.88 SLC7A5 (0.55) LARS1SLC7A5SLC1A3SLC1A2SLC1A1
Leucine SCHEMBL8045916 0.85 SLC7A5 (0.51) LARS1SLC7A5ANPEPRNPEPDNPEP
Leucine SCHEMBL8047098 0.85 SLC7A5 (0.51) LARS1SLC7A5ANPEPRNPEPDNPEP
D-Leucine SCHEMBL8053196 0.85 SLC7A5 (0.51) LARS1SLC7A5ANPEPRNPEPDNPEP
SCHEMBL4660559 0.84 TSHR (0.52) LARS1SLC7A5TSHRSMN1; SMN2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-51149222-A None JP disclosed
EP-0057092-B1 PROCESS FOR RACEMIZING AN OPTICALLY ACTIVE ALPHA-AMINO ACID OR A SALT THEREOF Tanabe Seiyaku Co., Ltd. (JP) 1985-05-02 EP disclosed
US-4427680-A ANTHISTAMINES BOEHRINGER MANNHEIM GMBH (DE) 1984-01-24 US disclosed
US-4401820-A IN THE PRESENCE OF AN ACYCLIC ACID AND AN ALDEHYDE; STABILITY TANABE SEIYAKU CO., LTD. (JP) 1983-08-30 US disclosed
EP-0057092-A1 Process for racemizing an optically active alpha-amino acid or a salt thereof Tanabe Seiyaku Co., Ltd. (JP) 1982-08-04 EP disclosed
JP-S51149222-A PREPARATION OF HIGHLY PURIFIED LEUCINE TANABE SEIYAKU CO LTD 1976-12-22 JP disclosed