SCHEMBL31537744

SCHEMBL31537744

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SLC1A3 P43003 3/20 0.38
SLC1A2 P43004 3/20 0.38
ANPEP P15144 7/20 0.37
RNPEP Q9H4A4 2/20 0.37
DNPEP Q9ULA0 1/20 0.37
DPP4 P27487 3/20 0.33
LAP3 P28838 2/20 0.33
ERAP1 Q9NZ08 2/20 0.33
SLC1A1 P43005 2/20 0.32
TRPA1 O75762 1/20 0.32
ERAP2 Q6P179 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
LARS1 Q9P2J5 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
SCHEMBL7741802 0.82 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL24575864 0.74 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL18678835 0.74 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL16142371 0.74 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL31397604 0.72 RNPEP (0.36) ANPEPRNPEPTRPA1
SCHEMBL18845531 0.71
SCHEMBL4340724 0.69
D-Leucine SCHEMBL42012 0.66
Leucine SCHEMBL8568063 0.66 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2RNPEPSLC1A1
Leucine SCHEMBL331557 0.66 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2RNPEPSLC1A1

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-2025095857-A1 DRY POWDER INHALABLE PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR 亚正环球药业(新加坡)有限公司 2025-05-08 WO disclosed