SCHEMBL29601916

SCHEMBL29601916

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.52
MME P08473 6/20 0.52
ACE P12821 3/20 0.52
CPA1 P15085 3/20 0.52
ACE2 Q9BYF1 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GNPAT O15228 1/20 0.51
CTSB P07858 1/20 0.51
BACE1 P56817 2/20 0.51
BACE2 Q9Y5Z0 1/20 0.50

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
SCHEMBL29602015 1.00 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL29601774 1.00 CTSD (0.52) CTSDMMEACECPA1ACE2
SCHEMBL29602011 0.97 MME (0.55) MMEACECPA1ACE2
SCHEMBL29602233 0.97 MME (0.55) MMEACECPA1ACE2
SCHEMBL29484193 0.97 MME (0.55) MMEACECPA1ACE2
SCHEMBL29934398 0.94 ACE (0.56) MMEACECPA1ACE2
SCHEMBL30051551 0.94 MME (0.58) MMEACECPA1ACE2GNPAT
SCHEMBL29601951 0.93 CTSD (0.62) CTSDMMEACECPA1ACE2
SCHEMBL29602301 0.93 BACE1 (0.59) CTSDMMECTSBBACE1BACE2
SCHEMBL30099518 0.93 BACE1 (0.54) CTSDMMEACEBACE1

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