SCHEMBL8398402

SCHEMBL8398402

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
SCN9A Q15858 4/20 0.36
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CAPN1 P07384 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
AAK1 Q2M2I8 6/20 0.32
ANPEP P15144 2/20 0.32
RNPEP Q9H4A4 2/20 0.32
DNPEP Q9ULA0 1/20 0.32
DPP4 P27487 1/20 0.32
CTSD P07339 1/20 0.31

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
SCHEMBL9572319 0.85 SLC7A5 (0.42) SLC7A5SCN9ALARS1AAK1ANPEP
SCHEMBL8972083 0.77 DPP7 (0.42) DPP4
SCHEMBL9572330 0.76 METAP2 (0.39) SLC7A5SCN9ALARS1ANPEPRNPEP
SCHEMBL8398395 0.74 CAPN1 (0.33) CAPN1ANPEPCTSD
Hydrochloric Acid SCHEMBL15527937 0.71 BIRC2 (0.46)
SCHEMBL9572297 0.71 SLC7A5 (0.38) SLC7A5SCN9ALARS1AAK1ANPEP
SCHEMBL15613199 0.70 SLC7A5 (0.44) SLC7A5SCN9ALARS1AAK1ANPEP
SCHEMBL25154881 0.70 SLC7A5 (0.47) SLC7A5SCN9ALARS1AAK1ANPEP
SCHEMBL15412847 0.70 SLC7A5 (0.52) SLC7A5GRIK1GRIK2CAPN1LARS1
SCHEMBL10296149 0.69 SLC7A5 (0.54) SLC7A5SCN9ALARS1AAK1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed