SCHEMBL31362653

SCHEMBL31362653

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.62
▸ CTSB P07858 2/20 0.62
▸ DPP3 Q9NY33 5/20 0.55
▸ CXCR4 P61073 5/20 0.54
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ CXCL8 P10145 3/20 0.50
▸ GNRHR P30968 1/20 0.50
▸ BDKRB2 P30411 1/20 0.49

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
SCHEMBL31362650 0.96 CAPN1 (0.64) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL9728122 0.87 CAPN1 (0.64) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL29713766 0.86 DPP3 (0.63) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30288104 0.85 DPP3 (0.71) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL32681272 0.85 DPP3 (0.62) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31579553 0.84 NTSR2 (0.56) CAPN1CTSBDPP3CXCR4NTSR2
SCHEMBL30051252 0.83 DPP3 (0.65) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30633418 0.83 DPP3 (0.60) CAPN1CTSBDPP3CXCR4OPRD1
SCHEMBL31461890 0.82 CAPN1 (0.53) CAPN1CTSBNTSR2NTSR1OPRD1
SCHEMBL30498685 0.82 CXCR4 (0.63) CAPN1CTSBCXCR4NTSR2NTSR1

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
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