SCHEMBL30448786

SCHEMBL30448786

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.57
▸ C5AR1 P21730 2/20 0.49
▸ CAPN1 P07384 2/20 0.49
▸ CTSB P07858 2/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ CXCR4 P61073 3/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ NPY5R Q15761 1/20 0.47
▸ F13A1 P00488 1/20 0.47
▸ TGM2 P21980 1/20 0.47
▸ ANPEP P15144 1/20 0.44
▸ LNPEP Q9UIQ6 1/20 0.44
▸ CALCA P06881 1/20 0.44
▸ MC4R P32245 1/20 0.44
▸ MC5R P33032 1/20 0.44
▸ MC3R P41968 1/20 0.44
▸ MC1R Q01726 1/20 0.44
▸ NTSR2 O95665 1/20 0.44

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
SCHEMBL30684885 0.88 DPP3 (0.58) DPP3C5AR1F13A1TGM2MC4R
SCHEMBL31461898 0.85 OPRD1 (0.54) DPP3C5AR1CAPN1CTSBCXCR4
SCHEMBL30906487 0.84 CALCRL (0.53) C5AR1CXCR4NPY1RNPY2RNPY4R
SCHEMBL29742995 0.84 NPY1R (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452907 0.84 CAPN1 (0.58) DPP3CAPN1CTSBPRMT1CXCR4
SCHEMBL30607270 0.82 NPY2R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30906519 0.81 NPY1R (0.54) CAPN1CTSBCXCR4NPY1RNPY2R
SCHEMBL30906366 0.81 NPY1R (0.53) DPP3CAPN1CTSBPRMT1CXCR4
SCHEMBL30819476 0.81 DPP3 (0.65) DPP3CAPN1CTSBF13A1TGM2
SCHEMBL31385536 0.81 CAPN1 (0.58) DPP3CAPN1CTSBCXCR4NPY1R

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-116333042-B Self-assembled peptide and preparation method and application thereof 上海理工大学 2024-06-18 — — CN disclosed
CN-116333042-A Self-assembled peptide and preparation method and application thereof 上海理工大学 2023-06-27 — — CN disclosed
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