SCHEMBL21728790

SCHEMBL21728790

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CTSS P25774 1/20 0.30
LAP3 P28838 1/20 0.30

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
SCHEMBL23169746 0.78 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL1034777 0.78 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL12285003 0.78 DPP4 (0.53) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL21728686 0.77 SLC7A5 (0.34) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL14136177 0.75
SCHEMBL21105596 0.70 SLC7A5 (0.52) SLC7A5DPP4FAPDPP8DPP9
SCHEMBL25100409 0.69 PAX8 (0.33) DPP4FAPDPP8DPP9DPP7
SCHEMBL1036161 0.68 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL14151828 0.68 DPP4 (0.50) DPP4FAPDPP8DPP9DPP7
SCHEMBL12428127 0.68 CTSC (0.41) SLC7A5DPP4FAPDPP8DPP9

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