SCHEMBL21728686

SCHEMBL21728686

CC(C=O)NC(=N)C(N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
DPP4 P27487 2/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 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
SCHEMBL12285003 0.77 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL21728790 0.77 SLC7A5 (0.36) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL1034777 0.77 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL23169746 0.77 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL2906947 0.73
SCHEMBL23221179 0.71 SLC7A5 (0.39) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL14908438 0.70
SCHEMBL14136177 0.69
SCHEMBL1036161 0.67 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL14151828 0.67 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7

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-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed