SCHEMBL29601951

SCHEMBL29601951

CC[C@H](C)[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSD P07339 12/20 0.62
MME P08473 3/20 0.58
ACE P12821 3/20 0.58
CPA1 P15085 3/20 0.58
ACE2 Q9BYF1 3/20 0.58
LNPEP Q9UIQ6 3/20 0.56
ANPEP P15144 2/20 0.56

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
SCHEMBL30592761 0.96 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL30053211 0.96 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL30255550 0.94 CTSD (0.64) CTSDMMEACECPA1ACE2
SCHEMBL29602015 0.93 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL29601774 0.93 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL29601916 0.93 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL31257040 0.93 ACE (0.57) CTSDMMEACECPA1ACE2
SCHEMBL4985096 0.91 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL4985114 0.91 ACE (0.62) CTSDMMEACECPA1ACE2
SCHEMBL30052882 0.91 CTSD (0.58) CTSDMMEACECPA1ACE2

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-114621311-A Method for synthesizing cyclic heptapeptide Mortiamides and analogues thereof under assistance of DPKO carrier 西北工业大学 2022-06-14 CN disclosed