SCHEMBL30506402

SCHEMBL30506402

N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
MME P08473 1/20 0.56
ACE P12821 2/20 0.54
GHSR Q92847 1/20 0.54
ALOX15 P16050 1/20 0.52
ERAP2 Q6P179 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
ANPEP P15144 1/20 0.52
LNPEP Q9UIQ6 1/20 0.52
ECE1 P42892 1/20 0.52

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
SCHEMBL30958546 1.00 LTA4H (0.58) LTA4HMMEACEGHSRALOX15
SCHEMBL29577130 0.97 LTA4H (0.57) LTA4HMMEACEGHSRERAP2
SCHEMBL29577979 0.97 LTA4H (0.57) LTA4HMMEACEGHSRERAP2
SCHEMBL30671563 0.96 LTA4H (0.58) LTA4HMMEACEGHSRERAP2
SCHEMBL31259935 0.95 ACE (0.57) LTA4HACEALOX15ECE1
SCHEMBL31259938 0.95 ACE (0.57) LTA4HACEALOX15ECE1
SCHEMBL31259936 0.95 ACE (0.57) LTA4HACEALOX15ECE1
SCHEMBL31259937 0.95 ACE (0.57) LTA4HACEALOX15ECE1
SCHEMBL31259940 0.95 ACE (0.57) LTA4HACEALOX15ECE1
SCHEMBL30628987 0.95 ACE (0.57) LTA4HACEALOX15ECE1

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
CN-116554268-A Pancreatic lipase inhibitory peptide and application thereof 华南理工大学 2023-08-08 CN claimed