Leucine

Leucine

SCHEMBL7415971

CC(C)CC(N)C(=O)O.NC(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.54

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.53
NOS1 P29475 3/20 0.53
NOS2 P35228 3/20 0.53
SLC7A5 Q01650 6/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
GRIA2 P42262 1/20 0.51
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47

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 SCHEMBL7415976 1.00 NOS3 (0.53) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL29400795 0.90 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL14935980 0.90 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL44026 0.90 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL29567654 0.90 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5ALPI
SCHEMBL44027 0.90 SLC7A5 (0.65) NOS3NOS1NOS2SLC7A5ALPI
Hydrochloric Acid SCHEMBL20502134 0.88 SLC7A5 (0.62) NOS3NOS1NOS2SLC7A5ALPI
Hydrochloric Acid SCHEMBL20502133 0.88 SLC7A5 (0.62) NOS3NOS1NOS2SLC7A5ALPI
Hydrochloric Acid SCHEMBL22264913 0.88 SLC7A5 (0.62) NOS3NOS1NOS2SLC7A5ALPI
Hydrochloric Acid SCHEMBL31320951 0.88 SLC7A5 (0.62) NOS3NOS1NOS2SLC7A5ALPI

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-1084137-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2001-03-21 EP claimed
WO-1999064442-A1 PEPTIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 1999-12-16 WO claimed