SCHEMBL29390555

SCHEMBL29390555

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.59
▸ ANPEP P15144 1/20 0.58
▸ LNPEP Q9UIQ6 1/20 0.58
▸ AGTR2 P50052 4/20 0.55
▸ AGTR1 P30556 3/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ NTSR2 O95665 7/20 0.54
▸ NTSR1 P30989 7/20 0.54
▸ SORT1 Q99523 7/20 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
SCHEMBL29638280 0.89 REN (0.62) RENNTSR2NTSR1SORT1
SCHEMBL30985269 0.89 ANPEP (0.59) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL29638278 0.88 REN (0.61) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL30881932 0.87 REN (0.58) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL30881944 0.87 AGTR2 (0.58) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL30881924 0.87 AGTR2 (0.58) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL30881940 0.86 REN (0.61) RENAGTR2AGTR1SLC6A2NTSR2
SCHEMBL30723559 0.86 REN (0.62) RENNTSR2NTSR1SORT1
SCHEMBL29638282 0.85 LNPEP (0.68) RENANPEPLNPEPAGTR2AGTR1
SCHEMBL29392664 0.84 LNPEP (0.65) RENANPEPLNPEPSLC6A2NTSR2

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
CN-111777669-B Anti-tumor active peptide, synthesis method and application 安徽工程大学 2022-03-08 — — CN disclosed
CN-111777668-B Marine cyclopeptide Samoamide A-based modified polypeptide, synthetic method and application 安徽工程大学 2022-02-25 — — CN disclosed
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