SCHEMBL1024172

SCHEMBL1024172

N[C@@H](CCCN(Cc1ccccc1)C(=O)O)C(=O)NCCC[C@@H](CC(=O)NCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.47
DPP8 Q6V1X1 3/20 0.44
DPP7 Q9UHL4 3/20 0.44
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 2/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
HTT P42858 1/20 0.41
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
PTGER4 P35408 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
Hydrochloric Acid SCHEMBL4850497 0.99 ANPEP (0.46) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL1022890 0.88 ANPEP (0.54) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL4889200 0.88 ANPEP (0.51) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL4854949 0.87 ANPEP (0.53) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL8646826 0.83 HTT (0.56) DPP8DPP7SLC1A3SLC1A1SIRT2
SCHEMBL8646821 0.83 HTT (0.56) DPP8DPP7SLC1A3SLC1A1SIRT2
Hydrochloric Acid SCHEMBL4853195 0.81 CPB1 (0.48) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL8650797 0.81 HTT (0.56) DPP8DPP7SLC1A3SLC1A1SIRT2
SCHEMBL8650802 0.81 HTT (0.56) DPP8DPP7SLC1A3SLC1A1SIRT2
SCHEMBL2266918 0.81 CTRB1 (0.49) ANPEPDPP8DPP7SLC1A3SLC1A1

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
EP-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed