SCHEMBL29638288

SCHEMBL29638288

CC(C)C[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP3 Q9NY33 2/20 0.58
SLC6A2 P23975 1/20 0.57
ACE P12821 1/20 0.55
REN P00797 2/20 0.53
ANPEP P15144 1/20 0.53
LNPEP Q9UIQ6 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
PSMB9 P28065 2/20 0.52
XIAP P98170 1/20 0.51

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
SCHEMBL29638290 0.97 LNPEP (0.56) DPP3SLC6A2ACERENANPEP
SCHEMBL30616201 0.97 DPP3 (0.58) DPP3SLC6A2ACERENANPEP
SCHEMBL30945872 0.95 DPP3 (0.62) DPP3SLC6A2RENANPEPLNPEP
SCHEMBL29638293 0.91 LNPEP (0.63) SLC6A2RENANPEPLNPEP
SCHEMBL29638302 0.90 REN (0.62) SLC6A2RENANPEPLNPEP
SCHEMBL31016729 0.90 SLC6A2 (0.59) DPP3SLC6A2ACERENOPRM1
SCHEMBL29638298 0.89 LNPEP (0.62) DPP3SLC6A2RENANPEPLNPEP
SCHEMBL29973755 0.88 DPP3 (0.56) DPP3SLC6A2RENANPEPLNPEP
SCHEMBL29466818 0.88 SLC6A2 (0.64) DPP3SLC6A2ACEANPEPLNPEP
SCHEMBL29637436 0.87 SLC6A2 (0.60) SLC6A2ACERENOPRM1OPRD1

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-109400683-B Antitumor cyclic peptide and preparation method and application thereof 安徽工程大学 2022-05-17 CN disclosed