SCHEMBL3396707

SCHEMBL3396707

CCC(C)C(N)C(=O)N(C(=O)CN)C(CC(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.37
SLC1A3 P43003 3/20 0.33
SLC1A2 P43004 3/20 0.33
DPP4 P27487 4/20 0.33
DPP8 Q6V1X1 3/20 0.33
DPP9 Q86TI2 3/20 0.33
SLC1A1 P43005 2/20 0.32
LAP3 P28838 2/20 0.31
CACNA2D1 P54289 2/20 0.30
CACNB3 P54284 1/20 0.30
CACNA1C Q13936 1/20 0.30
PGR P06401 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
CACNA2D2 Q9NY47 1/20 0.30
DPP7 Q9UHL4 2/20 0.30
RNPEP Q9H4A4 1/20 0.30

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
SCHEMBL2950122 0.87 DPP4 (0.33) DPP4DPP8DPP9DPP7
SCHEMBL4966689 0.87 SLC7A5 (0.38) SLC7A5SLC1A3SLC1A2DPP4DPP8
SCHEMBL28540878 0.86 SLC7A5 (0.35) SLC7A5SLC1A3SLC1A2DPP4DPP8
SCHEMBL18613506 0.84 SLC7A5 (0.41) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL18613516 0.83 DPP4 (0.35) SLC7A5DPP4DPP8DPP9DPP7
SCHEMBL15757064 0.82 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2SLC1A1LAP3
SCHEMBL11196394 0.78 SLC7A5 (0.39) SLC7A5SLC1A3SLC1A2SLC1A1CACNA2D1
SCHEMBL1674768 0.76 GSR (0.46) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL27639943 0.76 GSR (0.46) SLC7A5SLC1A3SLC1A2SLC1A1RNPEP
SCHEMBL4658496 0.75 SLC7A5 (0.43) SLC7A5SLC1A3SLC1A2DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248821-B1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD WAKO PURE CHEM IND LTD (JP) 2015-01-28 EP disclosed
EP-2248821-A1 SUBSTRATE FOR ASSAYING -GLUCAN AND/OR ENDOTOXIN AND ASSAY METHOD Wako Pure Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed