SCHEMBL29602011

SCHEMBL29602011

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

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.55
ACE P12821 3/20 0.54
CPA1 P15085 3/20 0.54
ACE2 Q9BYF1 3/20 0.54

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
SCHEMBL29602233 1.00 MME (0.55) MMEACECPA1ACE2
SCHEMBL29484193 1.00 MME (0.55) MMEACECPA1ACE2
SCHEMBL29602015 0.97 CTSD (0.52) MMEACECPA1ACE2
SCHEMBL29601916 0.97 CTSD (0.52) MMEACECPA1ACE2
SCHEMBL29601774 0.97 CTSD (0.52) MMEACECPA1ACE2
Mdl-28170 SCHEMBL7335375 0.93 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL30873029 0.93 MME (0.61) MMEACECPA1ACE2
Mdl-28170 SCHEMBL11370994 0.93 MME (0.61) MMEACECPA1ACE2
SCHEMBL29602301 0.93 BACE1 (0.59) MME
SCHEMBL31756753 0.92 MME (0.52) MMEACECPA1ACE2

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