SCHEMBL29576682

SCHEMBL29576682

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.57
▸ RAMP1 O60894 1/20 0.55
▸ ACE P12821 7/20 0.53
▸ SLC6A2 P23975 1/20 0.50
▸ ACE2 Q9BYF1 3/20 0.46
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL30097906 0.87 CALCRL (0.55) CALCRLRAMP1ACE
SCHEMBL29471358 0.85 CALCRL (0.54) CALCRLRAMP1OPRK1
SCHEMBL29546599 0.84 CALCRL (0.53) CALCRLRAMP1OPRK1
SCHEMBL30088927 0.84 BACE1 (0.55) CALCRLRAMP1
SCHEMBL30445527 0.84 CALCRL (0.54) CALCRLACESLC6A2ACE2OPRK1
SCHEMBL38659583 0.83 CALCRL (0.60) CALCRLRAMP1SLC6A2
SCHEMBL38658041 0.82 CALCRL (0.57) CALCRLRAMP1SLC6A2
SCHEMBL31596830 0.82 SLC6A2 (0.65) CALCRLACESLC6A2ACE2OPRK1
SCHEMBL31265744 0.81 ACE (0.60) ACEACE2OPRK1
SCHEMBL30682547 0.81 OPRK1 (0.52) CALCRLACEACE2OPRK1

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-114456230-A Probiotic active peptide, active peptide composition and application of probiotic active peptide and active peptide composition in preparation of products with anti-inflammatory effect 深圳科兴药业有限公司 2022-05-10 — — CN disclosed
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