SCHEMBL8577100

SCHEMBL8577100

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.41
CPA1 P15085 2/20 0.38
RNPEP Q9H4A4 1/20 0.36
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 2/20 0.34
MAPT P10636 1/20 0.33
CACNA2D1 P54289 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32
LAP3 P28838 3/20 0.31
ANPEP P15144 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8577090 1.00 SLC7A5 (0.41) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL8579775 0.86 AAK1 (0.37) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL8579779 0.86 AAK1 (0.37) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL7411914 0.76 RNPEP (0.44) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL7411918 0.76 RNPEP (0.44) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL19858948 0.74 RNPEP (0.43) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL19858949 0.74 RNPEP (0.43) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL15757064 0.73 SLC7A5 (0.43) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL3056494 0.72 SLC7A5 (0.57) SLC7A5CPA1RNPEPSLC1A3SLC1A2
SCHEMBL28204656 0.71 SLC7A5 (0.50) SLC7A5CPA1RNPEPSLC1A3SLC1A2

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-5840712-A TARGETS AND LINKERS RECEPTAGEN CORPORATION (US) 1998-11-24 US disclosed