SCHEMBL29414524

SCHEMBL29414524

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.59
▸ LTA4H P09960 5/20 0.54
▸ DPP4 P27487 2/20 0.53
▸ DPP8 Q6V1X1 2/20 0.53
▸ DPP9 Q86TI2 2/20 0.53
▸ DPP7 Q9UHL4 2/20 0.53
▸ FAP Q12884 1/20 0.53
▸ ACE2 Q9BYF1 2/20 0.51
▸ F2 P00734 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
SCHEMBL26500576 0.87 DPP4 (0.55) ACEDPP4DPP8DPP9DPP7
SCHEMBL30634741 0.87 OPRM1 (0.66) ACE
SCHEMBL30051426 0.87 DPP4 (0.60) ACEDPP4DPP8DPP9DPP7
SCHEMBL13285560 0.85 DPP4 (0.72) ACEDPP4DPP8DPP9DPP7
SCHEMBL7375090 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL5900809 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL31026624 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726263 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL3726264 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9
SCHEMBL6436643 0.85 ACE (0.70) ACELTA4HDPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133431-B Mare milk-derived small molecule peptide and application thereof 昆明理工大学 2023-07-25 — — CN claimed
CN-114133431-A Marble milk-derived small-molecule peptide and application thereof 昆明理工大学 2022-03-04 — — CN claimed
CN-114133431-B Mare milk-derived small molecule peptide and application thereof 昆明理工大学 2023-07-25 — — CN disclosed
CN-114133431-B Mare milk-derived small molecule peptide and application thereof 昆明理工大学 2023-07-25 — — CN disclosed
CN-114133431-A Marble milk-derived small-molecule peptide and application thereof 昆明理工大学 2022-03-04 — — CN disclosed
CN-114133431-A Marble milk-derived small-molecule peptide and application thereof 昆明理工大学 2022-03-04 — — CN disclosed
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