SCHEMBL10280902

SCHEMBL10280902

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.46
SLC7A5 Q01650 2/20 0.39
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
ANPEP P15144 6/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC1A1 P43005 1/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
RNPEP Q9H4A4 3/20 0.30
DNPEP Q9ULA0 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
SCHEMBL18520303 0.86 DPP4 (0.44) DPP4SLC7A5SLC1A3SLC1A2SLC1A1
SCHEMBL17992932 0.82 DPP4 (0.47) DPP4SLC7A5
SCHEMBL26343503 0.82 DPP4 (0.47) DPP4SLC7A5
SCHEMBL3124635 0.79 SLC7A5 (0.44) DPP4SLC7A5SLC1A3SLC1A2ANPEP
SCHEMBL15730402 0.79 RNPEP (0.34) SLC7A5SLC1A3SLC1A2ALDH1A1CACNA2D1
SCHEMBL3045850 0.78 DPP4 (0.45) DPP4SLC7A5SLC1A3SLC1A2
SCHEMBL3045853 0.78 DPP4 (0.45) DPP4SLC7A5SLC1A3SLC1A2
SCHEMBL23001270 0.72 ALDH1A1 (0.36) SLC7A5SLC1A3SLC1A2ALDH1A1CACNA2D1
SCHEMBL16054205 0.71 SLC7A5 (0.52) DPP4SLC7A5SLC1A3SLC1A2LAP3
SCHEMBL1953318 0.71 DPP4 (0.52) DPP4SLC7A5SLC1A3SLC1A2LAP3

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
WO-2012021796-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL, INC. (US) 2012-02-16 WO disclosed