SCHEMBL9675657

SCHEMBL9675657

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.57
SLC1A2 P43004 3/20 0.57
SLC1A1 P43005 2/20 0.57
SLC7A5 Q01650 2/20 0.47
ANPEP P15144 2/20 0.39
DNPEP Q9ULA0 1/20 0.39
LAP3 P28838 5/20 0.38
RNPEP Q9H4A4 1/20 0.38
CACNA2D1 P54289 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
ENPEP Q07075 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9667249 1.00 SLC1A3 (0.57) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP
SCHEMBL9675609 0.84 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1SLC7A5LAP3
SCHEMBL9676557 0.84 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1SLC7A5LAP3
SCHEMBL9675622 0.84 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1SLC7A5LAP3
SCHEMBL9675574 0.84 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1SLC7A5LAP3
SCHEMBL10635050 0.81 ANPEP (0.37) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP
SCHEMBL10431096 0.81 ANPEP (0.37) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP
SCHEMBL10635056 0.80 ANPEP (0.42) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP
SCHEMBL10433736 0.80 SLC7A5 (0.50) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP
SCHEMBL8270049 0.80 SLC7A5 (0.50) SLC1A3SLC1A2SLC1A1SLC7A5ANPEP

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-0486478-A2 Renin-inhibiting peptides THE UPJOHN COMPANY (US) 1992-05-20 EP disclosed
US-4880781-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1989-11-14 US disclosed
EP-0173481-A2 Peptides THE UPJOHN COMPANY (US) 1986-03-05 EP disclosed