SCHEMBL29719643

SCHEMBL29719643

CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GNPAT O15228 2/20 0.56
▸ BACE1 P56817 1/20 0.50
▸ BACE2 Q9Y5Z0 1/20 0.50
▸ TFPI P10646 1/20 0.49
▸ IL23R Q5VWK5 2/20 0.49
▸ EIF4E P06730 1/20 0.49
▸ EIF4EBP1 Q13541 1/20 0.49
▸ F2 P00734 2/20 0.48
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ NPY4R P50391 1/20 0.47
▸ GRIA1 P42261 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.47
▸ KISS1R Q969F8 1/20 0.46

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
SCHEMBL29719451 0.95 GNPAT (0.56) GNPATBACE1BACE2TFPIIL23R
SCHEMBL29719639 0.94 NAALAD2 (0.54) GNPATTFPIIL23RF2NPY1R
SCHEMBL29719638 0.92 NAALAD2 (0.54) GNPATTFPIIL23RF2NPY1R
SCHEMBL29719668 0.92 GNPAT (0.64) GNPATF2NAALAD2
SCHEMBL17192786 0.88 GNPAT (0.69) GNPATNAALAD2KISS1R
SCHEMBL29911602 0.87 GHSR (0.53) GNPATBACE1BACE2F2NAALAD2
SCHEMBL29609394 0.87 GNPAT (0.63) GNPATNPY1RNPY2RNPY4RGRIA1
SCHEMBL30512526 0.85 BACE1 (0.51) BACE1BACE2NPY1RNPY2RNPY4R
SCHEMBL13563449 0.85 GNPAT (0.58) GNPATNPY1RNPY2RNPY4RGRIA1
SCHEMBL12794624 0.85 GNPAT (0.58) GNPATNPY1RNPY2RNPY4RGRIA1

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-114573660-A Self-assembled short peptide and long-acting local anesthesia and analgesia medicinal preparation prepared by inducing local anesthesia medicament biomineralization 四川大学华西医院 2022-06-03 — — CN disclosed
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