SCHEMBL29973755

SCHEMBL29973755

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 2/20 0.56
NMUR2 Q9GZQ4 2/20 0.53
SLC6A2 P23975 1/20 0.53
CMA1 P23946 1/20 0.52
BACE1 P56817 3/20 0.52
REN P00797 3/20 0.51
NMUR1 Q9HB89 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
NPY1R P25929 1/20 0.50
ANPEP P15144 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
F2 P00734 1/20 0.50
XIAP P98170 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
SCHEMBL29580259 0.93 DPP3 (0.59) DPP3SLC6A2CMA1OPRM1OPRD1
SCHEMBL31694455 0.91 SLC6A2 (0.58) SLC6A2RENOPRM1OPRD1F2
SCHEMBL30945872 0.91 DPP3 (0.62) DPP3SLC6A2CMA1RENOPRM1
SCHEMBL29588428 0.90 SLC6A2 (0.55) NMUR2SLC6A2BACE1RENNMUR1
SCHEMBL30616201 0.90 DPP3 (0.58) DPP3SLC6A2CMA1RENOPRM1
SCHEMBL31016729 0.90 SLC6A2 (0.59) DPP3SLC6A2CMA1RENOPRM1
SCHEMBL29531913 0.89 OPRM1 (0.56) NMUR2SLC6A2CMA1RENNMUR1
SCHEMBL30444544 0.89 CMA1 (0.58) DPP3SLC6A2CMA1OPRM1XIAP
SCHEMBL29638288 0.88 DPP3 (0.58) DPP3SLC6A2RENOPRM1OPRD1
SCHEMBL31406963 0.88 SLC6A2 (0.65) NMUR2SLC6A2RENOPRM1OPRD1

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 EP disclosed