SCHEMBL30468673

SCHEMBL30468673

NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.55
▸ MME P08473 5/20 0.49
▸ ACE P12821 6/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ ENPEP Q07075 2/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 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
SCHEMBL29707527 1.00 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL29630734 0.96 NAALAD2 (0.54) NAALAD2MMEACECPA1ACE2
SCHEMBL29630542 0.95 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL29591506 0.93 NAALAD2 (0.48) NAALAD2MMEACECPA1ACE2
SCHEMBL30661108 0.91 NAALAD2 (0.60) NAALAD2MMEACECPA1ACE2
SCHEMBL29466039 0.90 NAALAD2 (0.53) NAALAD2MMEACECPA1ACE2
SCHEMBL29822475 0.89 MME (0.56) NAALAD2MMEACECPA1ACE2
SCHEMBL30468670 0.88 CHRND (0.47) NAALAD2NPY1RNPY2RNPY4R
SCHEMBL29707530 0.88 CHRND (0.47) NAALAD2NPY1RNPY2RNPY4R
SCHEMBL29608986 0.87 NPY4R (0.57) NAALAD2MMEACECPA1ACE2

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-114805481-B Short peptide and slow release preparation with long-acting analgesic or/and long-acting local anesthetic effect by taking short peptide as carrier material 四川大学华西医院 2023-06-23 — — CN disclosed
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