SCHEMBL18796583

SCHEMBL18796583

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 4/20 0.41
SLC1A2 P43004 4/20 0.41
ANPEP P15144 6/20 0.39
RNPEP Q9H4A4 2/20 0.39
DNPEP Q9ULA0 1/20 0.39
DPP4 P27487 1/20 0.38
LAP3 P28838 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A1 P43005 3/20 0.34
LARS1 Q9P2J5 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL13995147 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18774977 0.83 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL28512655 0.77 DPP4 (0.40) SLC1A3SLC1A2DPP4ALDH1A1TSHR
SCHEMBL28512656 0.77 DPP4 (0.40) SLC1A3SLC1A2DPP4ALDH1A1TSHR
SCHEMBL4595827 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1911122 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4594704 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL3948078 0.77 DPP4 (0.42) DPP4ALDH1A1LMNAMEN1GAA
SCHEMBL5438409 0.77 DPP4 (0.42) DPP4ALDH1A1LMNAMEN1GAA
Hydrochloric Acid SCHEMBL3223338 0.76 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 EP claimed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 WO claimed
EP-3368508-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2018-09-05 EP disclosed
WO-2017073797-A1 IMMUNOSTIMULATING AGENT AJINOMOTO CO., INC. (JP) 2017-05-04 WO disclosed