SCHEMBL30819478

SCHEMBL30819478

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.46
▸ REN P00797 6/20 0.46
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ APLNR P35414 1/20 0.44
▸ F2 P00734 4/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ CMA1 P23946 1/20 0.41
▸ CTSD P07339 1/20 0.41
▸ NTSR2 O95665 1/20 0.41
▸ NTSR1 P30989 1/20 0.41

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
SCHEMBL30819477 0.93 REN (0.44) CALCRLRENAPLNRSLC6A2CMA1
SCHEMBL30973952 0.89 CALCRL (0.53) CALCRLRENAGTR1AGTR2F2
SCHEMBL31488462 0.89 CALCRL (0.47) CALCRLRENSLC6A2
SCHEMBL31583750 0.88 REN (0.46) RENF2CTSD
SCHEMBL29590547 0.87 OPRK1 (0.46) RENSLC6A2CTSD
SCHEMBL29630560 0.87 OPRK1 (0.46) RENSLC6A2CTSD
SCHEMBL30385689 0.86 REN (0.47) RENSLC6A2CTSDNTSR2NTSR1
SCHEMBL30974108 0.85 SLC6A2 (0.51) CALCRLRENAGTR1AGTR2F2
SCHEMBL29925778 0.85 ACE (0.43) REN
SCHEMBL30165153 0.84 MC4R (0.47) APLNRF2CTSD

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-117820461-A High-immunocompetence sturgeon cartilage octapeptide and application thereof 华南农业大学 2024-04-05 — — CN disclosed
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