SCHEMBL6136333

SCHEMBL6136333

CCC(=O)OC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.50
SLC1A3 P43003 4/20 0.39
SLC1A2 P43004 4/20 0.39
ANPEP P15144 7/20 0.38
RNPEP Q9H4A4 3/20 0.38
DNPEP Q9ULA0 2/20 0.38
LAP3 P28838 4/20 0.34
ERAP1 Q9NZ08 1/20 0.34
SLC1A1 P43005 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
NAAA Q02083 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ELANE P08246 1/20 0.32

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
SCHEMBL542258 0.88 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL15655614 0.88 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.87 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.87 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13324439 0.86 ALDH1A1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10523425 0.86 ALDH1A1 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1537346 0.86 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1537226 0.86 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4867035 0.86 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL10527497 0.82 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946499-B1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-06-01 EP claimed
EP-0946499-B1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-06-01 EP disclosed
CN-1139427-A Malarial aspartic protease inhibitors SEARLE & CO (US) 1997-01-01 CN disclosed