SCHEMBL31326865

SCHEMBL31326865

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ DPP3 Q9NY33 4/20 0.51
▸ NTSR2 O95665 1/20 0.49
▸ NTSR1 P30989 1/20 0.49
▸ SORT1 Q99523 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
SCHEMBL30679614 0.93 CAPN1 (0.55) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL31326864 0.92 DPP3 (0.56) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL34461871 0.89 CAPN1 (0.55) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30436566 0.89 NTSR2 (0.60) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL30051839 0.88 DPP4 (0.54) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL29379873 0.88 DPP4 (0.58) DPP3
SCHEMBL30051571 0.87 DPP3 (0.57) CAPN1CTSBDPP3
SCHEMBL30232004 0.86 DPP3 (0.52) CAPN1CTSBDPP3
SCHEMBL29435827 0.86 KISS1R (0.56) CAPN1CTSBDPP3NTSR2NTSR1
SCHEMBL32681280 0.85 DPP3 (0.59) CAPN1CTSBDPP3NTSR2NTSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241650-A ACE inhibition and DPP-IV inhibition bifunctional peptide, and design method and application thereof 宁波大学 2025-01-03 — — CN claimed
CN-119241650-A ACE inhibition and DPP-IV inhibition bifunctional peptide, and design method and application thereof 宁波大学 2025-01-03 — — CN disclosed
CN-119241650-A ACE inhibition and DPP-IV inhibition bifunctional peptide, and design method and application thereof 宁波大学 2025-01-03 — — CN disclosed
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