SCHEMBL31362684

SCHEMBL31362684

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.60
CMA1 P23946 4/20 0.59
SLC6A2 P23975 1/20 0.58
RAMP1 O60894 1/20 0.54
OPRM1 P35372 2/20 0.52
REN P00797 1/20 0.52
POLB P06746 1/20 0.51
OPRD1 P41143 1/20 0.51
AGTR1 P30556 1/20 0.50
AGTR2 P50052 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
SCHEMBL25122503 0.91 CALCRL (0.60) CALCRLCMA1SLC6A2OPRM1OPRD1
SCHEMBL22906386 0.91 CALCRL (0.60) CALCRLCMA1SLC6A2OPRM1OPRD1
SCHEMBL30444544 0.90 CMA1 (0.58) CMA1SLC6A2OPRM1POLB
SCHEMBL30733355 0.90 EPHA2 (0.59) CALCRLSLC6A2RAMP1OPRM1OPRD1
SCHEMBL31275697 0.88 SLC6A2 (0.59) CALCRLCMA1SLC6A2RAMP1OPRM1
SCHEMBL25920955 0.88 CALCRL (0.59) CALCRLCMA1SLC6A2RAMP1OPRM1
Trifluoroacetic Acid SCHEMBL30641544 0.87 CMA1 (0.58) CALCRLCMA1SLC6A2OPRM1
SCHEMBL29579260 0.86 SLC6A2 (0.66) SLC6A2OPRM1OPRD1
SCHEMBL29580259 0.86 DPP3 (0.59) CMA1SLC6A2OPRM1POLBOPRD1
SCHEMBL30688495 0.86 SLC6A2 (0.68) CALCRLCMA1SLC6A2RAMP1REN

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