SCHEMBL30817641

SCHEMBL30817641

CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)C(C)C)[C@@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRD1 P41143 3/20 0.45
NPBWR1 P48145 1/20 0.45
OPRK1 P41145 1/20 0.44
FURIN P09958 2/20 0.44
OPRL1 P41146 1/20 0.43
TFPI P10646 1/20 0.42
PRSS1 P07477 1/20 0.42
BACE1 P56817 1/20 0.41

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
SCHEMBL30567745 0.90 BACE1 (0.47) NPBWR1BACE1
SCHEMBL23154857 0.90 FURIN (0.47) OPRM1OPRD1NPBWR1OPRK1FURIN
SCHEMBL23639488 0.90 FURIN (0.47) OPRM1OPRD1NPBWR1OPRK1FURIN
SCHEMBL28831855 0.90 OPRL1 (0.49) OPRM1OPRD1OPRK1OPRL1TFPI
SCHEMBL29461378 0.89 BACE1 (0.50) OPRM1OPRD1NPBWR1FURINOPRL1
SCHEMBL30930140 0.89 GLP1R (0.49) OPRL1TFPIBACE1
SCHEMBL30930145 0.88 GLP1R (0.48) OPRL1TFPIBACE1
SCHEMBL30997405 0.88 GLP1R (0.48) OPRL1TFPIBACE1
SCHEMBL30262131 0.87 TFPI (0.51) OPRL1TFPIBACE1
SCHEMBL30903288 0.87 BACE1 (0.48) OPRM1OPRD1NPBWR1OPRK1OPRL1

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-117327151-A Royal jelly wound healing promoting polypeptide AMLK11 and application thereof 福建农林大学 2024-01-02 CN disclosed