SCHEMBL15840409

SCHEMBL15840409

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
ANPEP P15144 6/20 0.36
RNPEP Q9H4A4 3/20 0.36
DNPEP Q9ULA0 2/20 0.36
DPP4 P27487 3/20 0.34
DPP9 Q86TI2 2/20 0.34
LAP3 P28838 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
SLC1A1 P43005 2/20 0.32
LARS1 Q9P2J5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
DPP8 Q6V1X1 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
SCHEMBL11459948 0.85 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL11459947 0.85 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18774975 0.80 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4595827 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4594704 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL14521728 0.77 DPP4 (0.39) DPP4
SCHEMBL1911122 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL56160 0.75 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL3223338 0.75 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL56161 0.75 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed