SCHEMBL7406641

SCHEMBL7406641

[CH2]CCC(=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 3/20 0.41
SLC1A2 P43004 3/20 0.41
ANPEP P15144 7/20 0.39
RNPEP Q9H4A4 3/20 0.39
DNPEP Q9ULA0 3/20 0.39
ELANE P08246 1/20 0.39
LARS1 Q9P2J5 1/20 0.37
LAP3 P28838 2/20 0.35
ERAP1 Q9NZ08 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A1 P43005 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 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
SCHEMBL28866572 0.80 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL11225491 0.80 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL11225485 0.80 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13499200 0.80 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL11048596 0.77 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL27874170 0.77
SCHEMBL12857274 0.75 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7303256 0.75 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL23966934 0.75 SLC7A5 (0.58) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13895431 0.75 SLC7A5 (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6468977-B1 COMPOUNDS USEFUL IN TREATMENT TREATMENT OF DISORDER AND/OR DISEASE CAUSED BY ACTIVITY OF ENZYMES SUCH AS HUMAN RHINOVIRUS 3C PROTEASE, TRANSGLUTAMINASE AND CATHEPSINS APOTEX INC. (CA) 2002-10-22 US claimed
WO-2001090095-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2001-11-29 WO claimed
US-6162791-A Thiadiazole compounds useful as inhibitors of cysteine activity dependent enzymes APOTEX INC. (CA) 2000-12-19 US claimed
EP-1058690-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 2000-12-13 EP claimed
WO-1999045027-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF CYSTEINE ACTIVITY DEPENDENT ENZYMES APOTEX INC. (CA) 1999-09-10 WO claimed