SCHEMBL4856800

SCHEMBL4856800

CC(CC(N)C(=O)O)N(C(=N)N)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 6/20 0.44
SLC1A2 P43004 6/20 0.44
SLC1A1 P43005 6/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
GRIK1 P39086 5/20 0.38
GRIK2 Q13002 3/20 0.38
PMP22 Q01453 1/20 0.38
GRIA2 P42262 2/20 0.36
GRIA4 P48058 2/20 0.36
GRIK3 Q13003 2/20 0.36
GRIK5 Q16478 2/20 0.36
GRIA1 P42261 1/20 0.36

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 SCHEMBL28204697 0.72 SLC7A5 (0.82) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
SCHEMBL3059628 0.70
SCHEMBL20107156 0.70 NOS3 (0.54) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Leucine SCHEMBL8951304 0.69 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1NOS3
Leucine SCHEMBL30257452 0.69 SLC7A5 (0.95) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL3069002 0.69 ALOX5 (0.32) NOS3NOS1NOS2
Leucine SCHEMBL998945 0.68 SLC7A5 (0.90) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Leucine SCHEMBL998944 0.68 SLC7A5 (0.90) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
SCHEMBL18528337 0.68 NOS3 (0.37) SLC7A5NOS3NOS1NOS2
Leucine SCHEMBL25241602 0.67 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO claimed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US claimed
US-7452701-B2 Methods for the preparation of β-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-11-18 US disclosed
WO-2004021981-A2 METHODS FOR THE PREPARATION OF β-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO disclosed
US-20030113882-A1 Methods for the preparation of beta-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-06-19 US disclosed