SCHEMBL31343151

SCHEMBL31343151

C[C@@H](O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCN)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.55
OPRM1 P35372 3/20 0.54
OPRD1 P41143 3/20 0.54
GNPAT O15228 1/20 0.48
SLC6A2 P23975 1/20 0.46
BACE1 P56817 3/20 0.46
BACE2 Q9Y5Z0 1/20 0.46

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
SCHEMBL29967037 0.98 MME (0.53) MMEOPRM1OPRD1GNPATBACE1
SCHEMBL31343199 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL29775541 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL34462433 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL30439737 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL29966851 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL34462427 0.96 MME (0.51) MMEOPRM1OPRD1BACE1BACE2
SCHEMBL29775592 0.94 OPRM1 (0.51) MMEOPRM1OPRD1SLC6A2
SCHEMBL29775629 0.94 OPRM1 (0.51) MMEOPRM1OPRD1SLC6A2
SCHEMBL30439268 0.94 OPRM1 (0.55) MMEOPRM1OPRD1BACE1BACE2

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-119101129-A Cyclic alkaline lipopeptide compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-12-10 CN claimed
CN-119101129-A Cyclic alkaline lipopeptide compound and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-12-10 CN disclosed