Leucine

Leucine

SCHEMBL7364033

CC(C)C[C@H](N)C(=O)O.CCCc1ccc(CCC(N[C@H](C)C(=O)O)C(=O)O)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
MMP2 P08253 5/20 0.44
MMP3 P08254 4/20 0.44
MMP1 P03956 1/20 0.44
MAPT P10636 1/20 0.43
MME P08473 1/20 0.42
ACE P12821 7/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KIF11 P52732 1/20 0.41
LTA4H P09960 1/20 0.39

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 SCHEMBL6418640 1.00 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL7367908 0.93 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL6411762 0.93 SLC7A5 (0.44) SLC7A5MMP2MMP3MMP1MAPT
Leucine SCHEMBL7318515 0.90 MMP2 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL6416175 0.90 MMP2 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL6412971 0.90 MMP2 (0.50) MMP2MMP3MMP1MMEACE
Leucine SCHEMBL6413862 0.89 ALDH1A1 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL7365687 0.89 ALDH1A1 (0.47) SLC7A5MMP2MMP3MMP1MME
Leucine SCHEMBL7327425 0.86 SLC1A3 (0.43) MMP2MMP3MMEACE
Leucine SCHEMBL7319680 0.85 MMP2 (0.61) SLC7A5MMP2MMP3MMP1MME

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed