SCHEMBL30880418

SCHEMBL30880418

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.57
GNPAT O15228 1/20 0.53
ERAP2 Q6P179 2/20 0.52
LNPEP Q9UIQ6 2/20 0.52
ERAP1 Q9NZ08 1/20 0.52
BACE1 P56817 3/20 0.51
OPRM1 P35372 2/20 0.51
OPRD1 P41143 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
NPY4R P50391 1/20 0.51
REN P00797 1/20 0.49

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
SCHEMBL31181190 1.00 OPRK1 (0.57) OPRK1GNPATERAP2LNPEPERAP1
SCHEMBL29591925 0.95 OPRK1 (0.60) OPRK1GNPATERAP2LNPEPERAP1
SCHEMBL31343356 0.94 OPRK1 (0.60) OPRK1GNPATBACE1OPRM1OPRD1
SCHEMBL31181266 0.93 GNPAT (0.59) OPRK1GNPATERAP2LNPEPOPRM1
SCHEMBL30799723 0.92 OPRK1 (0.57) OPRK1BACE1OPRM1OPRD1NPY1R
SCHEMBL29798322 0.92 OPRK1 (0.61) OPRK1GNPATOPRM1NPY1RNPY2R
SCHEMBL30497071 0.92 GNPAT (0.58) OPRK1GNPATERAP2LNPEPOPRM1
SCHEMBL31554972 0.92 MMP2 (0.56) OPRK1GNPATERAP2LNPEPBACE1
SCHEMBL30497073 0.92 MMP2 (0.56) OPRK1GNPATERAP2LNPEPBACE1
SCHEMBL29798078 0.92 OPRK1 (0.58) OPRK1GNPATERAP2LNPEPERAP1

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-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 CN claimed
CN-117820421-A Cyclic peptide compound and preparation method and application thereof 南开大学 2024-04-05 CN disclosed