SCHEMBL6136549

SCHEMBL6136549

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.42
DPP8 Q6V1X1 10/20 0.42
DPP9 Q86TI2 9/20 0.42
DPP7 Q9UHL4 9/20 0.38
IARS1 P41252 1/20 0.35
FAP Q12884 2/20 0.34

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
SCHEMBL542821 0.90 DPP4 (0.41) DPP4DPP8DPP9DPP7IARS1
SCHEMBL3930248 0.89 DPP4 (0.46) DPP4DPP8DPP9DPP7IARS1
SCHEMBL5161688 0.89 DPP4 (0.46) DPP4DPP8DPP9DPP7IARS1
SCHEMBL1537300 0.88 DPP4 (0.40) DPP4DPP8DPP9DPP7IARS1
SCHEMBL1537380 0.88 DPP4 (0.40) DPP4DPP8DPP9DPP7IARS1
SCHEMBL13324435 0.86 ALDH1A1 (0.50) DPP4DPP8DPP9DPP7IARS1
SCHEMBL598472 0.86 ALDH1A1 (0.50) DPP4DPP8DPP9DPP7IARS1
SCHEMBL19927408 0.83 DPP4 (0.37) DPP4DPP8DPP9DPP7IARS1
SCHEMBL27453775 0.83 DPP4 (0.37) DPP4DPP8DPP9DPP7IARS1
SCHEMBL1537392 0.83 DPP4 (0.42) DPP4DPP8DPP9DPP7IARS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946499-B1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-06-01 EP claimed
EP-0946499-B1 N-(ARYL/HETEROARYL/ALKYLACETYL) AMINO ACID AMIDES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARM INC (US) 2005-06-01 EP disclosed