SCHEMBL29965205

SCHEMBL29965205

CN(CC(=O)O)C(=O)[C@@H](N)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.49
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
KMO O15229 2/20 0.40
KIF11 P52732 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
FYN P06241 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
RECQL P46063 1/20 0.39
SLC7A5 Q01650 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL26922284 0.84 PNMT (0.56) PNMTMAOBMAOAKMOSLC6A2
SCHEMBL26922280 0.84 PNMT (0.56) PNMTMAOBMAOAKMOSLC6A2
SCHEMBL30440024 0.80 SLC7A5 (0.58) PTGS1SLC7A5SLC6A2
SCHEMBL11357126 0.80 ALPI (0.56) MAOBMAOAPTGS1SLC7A5SLC6A2
Hydrochloric Acid SCHEMBL8148706 0.80 PNMT (0.44) PNMTMAOBMAOATDP1SLC6A2
SCHEMBL29964940 0.79 TDP1 (0.46) MAOBPTGS1SLC7A5TDP1DPP4
SCHEMBL8153300 0.78 PNMT (0.42) PNMTMAOBMAOASLC6A2SLC6A4
SCHEMBL8140617 0.78 MC4R (0.49) PNMTHTR2ASLC6A2SLC6A4SLC6A3
SCHEMBL683674 0.78 PNMT (0.62) PNMTKMOKIF11KDM4EUSP2
SCHEMBL21930623 0.78 PNMT (0.62) PNMTKMOKIF11KDM4EUSP2

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