SCHEMBL29965012

SCHEMBL29965012

CN(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
DPP4 P27487 4/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
TPH1 P17752 1/20 0.42
HTT P42858 1/20 0.41
NSD2 O96028 1/20 0.41
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
SLC7A5 Q01650 2/20 0.39
GPR142 Q7Z601 1/20 0.38
CTBP2 P56545 1/20 0.38
POLB P06746 1/20 0.38
CTSC P53634 1/20 0.37
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37

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
SCHEMBL8647476 0.86 DPP4 (0.45) MAOBDPP4FAPDPP8DPP9
SCHEMBL21144842 0.84 DPP4 (0.48) MAOBDPP4FAPDPP8DPP9
SCHEMBL21144845 0.84 DPP4 (0.48) MAOBDPP4FAPDPP8DPP9
SCHEMBL23270320 0.84 DPP4 (0.48) MAOBDPP4FAPDPP8DPP9
SCHEMBL30440024 0.83 SLC7A5 (0.58) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL11357126 0.83 ALPI (0.56) MAOBSLC7A5CTSCALPIPKM
SCHEMBL29964940 0.82 TDP1 (0.46) MAOBDPP4FAPDPP8DPP9
SCHEMBL43593 0.78 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL43594 0.78 SLC7A5 (0.62) DPP4FAPDPP8DPP9DPP7
SCHEMBL838534 0.78 SLC7A5 (0.62) 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-4092038-A1 OPIOID AGONIST PEPTIDES AND USES THEREOF Protagonist Therapeutics, Inc. (US) 2022-11-23 EP disclosed