SCHEMBL7646983

SCHEMBL7646983

CSCCC(C(=O)O)N(C(=O)C(N)CCCCN)C(=O)C(N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.42
SLC7A5 Q01650 1/20 0.37
FOLH1 Q04609 1/20 0.35
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
SLC1A2 P43004 3/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A3 P43003 2/20 0.33
CPB2 Q96IY4 1/20 0.32
RNPEP Q9H4A4 4/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
THRB P10828 1/20 0.31
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ANPEP P15144 2/20 0.31
DNPEP Q9ULA0 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
SCHEMBL9561627 0.84 SLC7A5 (0.40) SLC7A5FOLH1SLC1A2SLC1A1SLC1A3
SCHEMBL21049239 0.83 SLC7A5 (0.42) SLC7A5FOLH1SLC1A2SLC1A1SLC1A3
SCHEMBL27584178 0.81 GSR (0.41) GSRSLC7A5ERAP2ERAP1LNPEP
SCHEMBL27584173 0.81 GSR (0.41) GSRSLC7A5ERAP2ERAP1LNPEP
SCHEMBL3720346 0.81 GSR (0.47) GSRSLC1A2SLC1A1CPB2RNPEP
Lysine SCHEMBL8836635 0.80 GSR (0.59) GSRSLC7A5FOLH1SLC1A2SLC1A1
Lysine SCHEMBL8836633 0.80 GSR (0.59) GSRSLC7A5FOLH1SLC1A2SLC1A1
SCHEMBL8931572 0.80 GSR (0.60) GSRFOLH1CPB2RNPEPGNAI3
SCHEMBL5556166 0.80 GSR (0.60) GSRFOLH1CPB2RNPEPGNAI3
SCHEMBL4349577 0.78 GSR (0.50) GSRSLC1A2SLC1A1CPB2RNPEP

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-6441134-B1 OLIGOPEPTIDE MEMBRANE TRANSPORTER WHICH IS NOT A MEMBER OF THE PEPTIDE TRANSPORT (PTR) OR ATP BINDING CASSETTE (ABC) FAMILIES; USE TARGETING ANTICANDIDAL (FUNGICIDAL) DRUGS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION 2002-08-27 US disclosed