SCHEMBL31025645

SCHEMBL31025645

N[C@H](CS)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 8/20 0.64
▸ ACE P12821 2/20 0.56
▸ CPA1 P15085 1/20 0.56
▸ ACE2 Q9BYF1 1/20 0.56
▸ NPY1R P25929 1/20 0.56
▸ NPY2R P49146 1/20 0.56
▸ NPY4R P50391 1/20 0.56
▸ ENPEP Q07075 5/20 0.56
▸ SLC7A5 Q01650 1/20 0.53

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
SCHEMBL30011237 1.00 MME (0.64) MMEACECPA1ACE2NPY1R
SCHEMBL31025643 1.00 MME (0.64) MMEACECPA1ACE2NPY1R
SCHEMBL29527395 1.00 MME (0.64) MMEACECPA1ACE2NPY1R
SCHEMBL30011197 1.00 MME (0.64) MMEACECPA1ACE2NPY1R
SCHEMBL30011266 1.00 MME (0.64) MMEACECPA1ACE2NPY1R
SCHEMBL29761659 0.97 MME (0.67) MMEACECPA1ACE2SLC7A5
SCHEMBL1987345 0.97 MME (0.67) MMEACECPA1ACE2SLC7A5
SCHEMBL29408691 0.97 MME (0.67) MMEACECPA1ACE2SLC7A5
SCHEMBL1987346 0.97 MME (0.67) MMEACECPA1ACE2SLC7A5
SCHEMBL29938283 0.96 MME (0.71) MMEACE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024163598-A2 PEPTIDES COMPRISING THIOESTER GROUPS, INCLUDING DEPSIPEPTIDE THIOESTERS, METHODS OF MAKING, AND USE THEREOF BRANDEIS UNIVERSITY (US) 2024-08-08 — — WO claimed
WO-2024163598-A2 PEPTIDES COMPRISING THIOESTER GROUPS, INCLUDING DEPSIPEPTIDE THIOESTERS, METHODS OF MAKING, AND USE THEREOF BRANDEIS UNIVERSITY (US) 2024-08-08 — — WO disclosed
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