SCHEMBL7676359

SCHEMBL7676359

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
ANPEP P15144 8/20 0.39
RNPEP Q9H4A4 3/20 0.39
DNPEP Q9ULA0 2/20 0.39
LAP3 P28838 5/20 0.35
ERAP1 Q9NZ08 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A1 P43005 2/20 0.34
LARS1 Q9P2J5 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ELANE P08246 1/20 0.33
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32

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
SCHEMBL14485413 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL1585736 1.00 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL995721 0.93 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9100153 0.93 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7361839 0.87 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL16225150 0.86 SLC7A5 (0.53) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6757940 0.85 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4775852 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL6130798 0.83 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL4867035 0.83 SLC7A5 (0.48) 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
US-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 US disclosed