SCHEMBL29707526

SCHEMBL29707526

CC(=O)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](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ OPRD1 P41143 8/20 0.49
▸ OPRM1 P35372 7/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ MME P08473 3/20 0.47
▸ ACE P12821 2/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ NPY1R P25929 2/20 0.46
▸ NPY2R P49146 2/20 0.46
▸ NPY4R P50391 2/20 0.46
▸ NPY5R Q15761 1/20 0.45
▸ FOLH1 Q04609 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
SCHEMBL30468668 1.00 NAALAD2 (0.50) NAALAD2OPRD1OPRM1OPRK1MME
SCHEMBL29630492 0.88 OPRD1 (0.58) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL29592640 0.88 OPRD1 (0.56) OPRD1OPRM1OPRK1
SCHEMBL9073116 0.86 FOLH1 (0.57) NAALAD2OPRD1OPRM1OPRK1MME
SCHEMBL30468673 0.85 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL29707527 0.85 NAALAD2 (0.55) NAALAD2MMEACECPA1ACE2
SCHEMBL29630551 0.85 NAALAD2 (0.50) NAALAD2OPRD1OPRM1OPRK1
SCHEMBL31257041 0.85 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL29630383 0.84 NAALAD2 (0.56) NAALAD2OPRM1MMEACECPA1
SCHEMBL29590412 0.84 QRFPR (0.45) NAALAD2OPRD1OPRM1OPRK1NPY1R

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-A Short peptide and sustained-release preparation with long-acting analgesic effect or/and long-acting local anesthetic effect by using short peptide as carrier material 四川大学华西医院 2022-07-29 — — CN disclosed
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