SCHEMBL30657434

SCHEMBL30657434

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.49
▸ NPY2R P49146 1/20 0.49
▸ NPY4R P50391 1/20 0.49
▸ NTSR2 O95665 2/20 0.49
▸ NTSR1 P30989 2/20 0.49
▸ ERAP2 Q6P179 1/20 0.48
▸ LNPEP Q9UIQ6 1/20 0.48
▸ ENPEP Q07075 2/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ F2 P00734 2/20 0.46
▸ GNPAT O15228 1/20 0.44
▸ NPPA P01160 1/20 0.44
▸ MME P08473 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ ECE1 P42892 1/20 0.44
▸ CHRND Q07001 4/20 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
SCHEMBL29014899 0.95 NPY4R (0.53) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL29014895 0.95 NPY4R (0.53) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL29349493 0.91 NPY4R (0.55) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL30839478 0.90 ACE (0.53) NPY1RNPY2RNPY4RENPEPOPRM1
SCHEMBL30571142 0.89 GNPAT (0.50) ERAP2LNPEPOPRM1OPRD1F2
SCHEMBL30733264 0.88 NPY1R (0.50) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL30433385 0.88 NPY4R (0.54) NPY1RNPY2RNPY4RNTSR2NTSR1
SCHEMBL30123357 0.88 ACE (0.55) OPRM1OPRD1MMEACE
SCHEMBL31181224 0.87 GNPAT (0.53) ERAP2LNPEPOPRM1F2GNPAT
SCHEMBL30810206 0.87 NPY4R (0.52) NPY1RNPY2RNPY4RNTSR2NTSR1

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-116970033-A Enzymatic self-assembled molecular probe, preparation method and application thereof 江苏省原子医学研究所 2023-10-31 — — CN disclosed
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