SCHEMBL31357807

SCHEMBL31357807

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 3/20 0.54
▸ CAPN1 P07384 2/20 0.52
▸ CTSB P07858 2/20 0.52
▸ NTSR2 O95665 1/20 0.52
▸ NTSR1 P30989 1/20 0.52
▸ SORT1 Q99523 1/20 0.52
▸ KISS1R Q969F8 4/20 0.50
▸ CXCL8 P10145 5/20 0.50
▸ F13A1 P00488 2/20 0.50
▸ TGM2 P21980 2/20 0.50
▸ NPY1R P25929 1/20 0.48
▸ NPY2R P49146 1/20 0.48
▸ NPY4R P50391 1/20 0.48
▸ NPY5R Q15761 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ TACR2 P21452 1/20 0.48

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
SCHEMBL31672180 0.88 DPP3 (0.58) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL31235881 0.86 DPP3 (0.57) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL29904962 0.82 CXCR4 (0.62) CXCL8NPY1RNPY2RNPY4RNPY5R
SCHEMBL31452907 0.82 CAPN1 (0.58) DPP3CAPN1CTSBKISS1RF13A1
SCHEMBL30199081 0.82 CAPN1 (0.54) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL31357907 0.82 CAPN1 (0.57) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL32681271 0.82 DPP3 (0.66) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30093409 0.80 F13A1 (0.56) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL30052939 0.80 DPP3 (0.59) DPP3CAPN1CTSBF13A1TGM2
SCHEMBL30050921 0.80 DPP3 (0.67) DPP3CAPN1CTSBNTSR2NTSR1

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-119638783-A Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof 上海交通大学 2025-03-18 — — CN claimed
CN-119638783-A Aminoglycoside phosphotransferase cyclic peptide inhibitors and uses thereof 上海交通大学 2025-03-18 — — CN disclosed
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