SCHEMBL31362645

SCHEMBL31362645

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 6/20 0.59
ANPEP P15144 3/20 0.59
SLC6A2 P23975 2/20 0.53
OPRM1 P35372 1/20 0.51
NTSR2 O95665 2/20 0.51
NTSR1 P30989 2/20 0.51
AGTR1 P30556 3/20 0.51
AGTR2 P50052 3/20 0.51
NPY1R P25929 2/20 0.50
NPY2R P49146 1/20 0.50
NPY4R P50391 1/20 0.50
NPY5R Q15761 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
SCHEMBL30792396 0.93 OPRM1 (0.60) SLC6A2OPRM1NTSR2NTSR1
SCHEMBL31362648 0.93 LNPEP (0.59) LNPEPANPEPSLC6A2OPRM1AGTR1
SCHEMBL31362649 0.91 AGTR2 (0.57) SLC6A2NTSR2NTSR1AGTR1AGTR2
SCHEMBL31362677 0.90 OPRM1 (0.57) LNPEPANPEPSLC6A2OPRM1NTSR2
SCHEMBL31362686 0.90 LNPEP (0.57) LNPEPANPEPNTSR2NTSR1AGTR1
SCHEMBL29678263 0.88 NTSR2 (0.56) OPRM1NTSR2NTSR1
SCHEMBL31362697 0.86 OPRM1 (0.56) LNPEPANPEPSLC6A2OPRM1
SCHEMBL22413056 0.85 OPRM1 (0.61) SLC6A2OPRM1
SCHEMBL22413057 0.85 OPRM1 (0.61) SLC6A2OPRM1
SCHEMBL22413054 0.85 OPRM1 (0.61) SLC6A2OPRM1

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-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 CN claimed
CN-119390815-A Whey protein peptide, whey protein fermentation concentrate, and preparation method and application thereof 张少辉 2025-02-07 CN disclosed