SCHEMBL8111498

SCHEMBL8111498

NC(CCCNC(=O)OCc1ccccc1)C(=O)NCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.59
DPP8 Q6V1X1 3/20 0.55
DPP7 Q9UHL4 3/20 0.55
DPP4 P27487 2/20 0.54
DPP9 Q86TI2 2/20 0.54
SLC1A3 P43003 1/20 0.54
SLC1A1 P43005 1/20 0.54
HTT P42858 1/20 0.53
PLAU P00749 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TGM2 P21980 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL8120404 0.95 ANPEP (0.63) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL30905445 0.92 ANPEP (0.58) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL17133759 0.91 ANPEP (0.67) ANPEPDPP8DPP7DPP4DPP9
Trifluoroacetic Acid SCHEMBL30905260 0.87 ANPEP (0.52) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7321298 0.84 ANPEP (0.71) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL12668303 0.84 ANPEP (0.61) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL2037306 0.83 SLC1A3 (0.70) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL2677967 0.83 SLC1A3 (0.70) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL4986552 0.83 SLC1A3 (0.70) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL9656664 0.83 DPP8 (0.64) ANPEPDPP8DPP7DPP4DPP9

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-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 EP disclosed