SCHEMBL30682547

SCHEMBL30682547

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 6/20 0.52
▸ ACE P12821 10/20 0.51
▸ PSMB9 P28065 2/20 0.48
▸ ACE2 Q9BYF1 3/20 0.48
▸ CALCRL Q16602 2/20 0.47

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
SCHEMBL29471358 0.94 CALCRL (0.54) OPRK1CALCRL
SCHEMBL29546599 0.92 CALCRL (0.53) OPRK1CALCRL
SCHEMBL30088927 0.90 BACE1 (0.55) CALCRL
SCHEMBL30097906 0.88 CALCRL (0.55) ACECALCRL
SCHEMBL31294857 0.83 ACE (0.52) ACEACE2CALCRL
SCHEMBL29592328 0.83 ACE (0.52) OPRK1ACEACE2
SCHEMBL29589786 0.82 ACE (0.56) ACEACE2
SCHEMBL31323239 0.82 CALCRL (0.56) PSMB9CALCRL
SCHEMBL30407343 0.81 OPRD1 (0.55) OPRK1ACEACE2
SCHEMBL30440345 0.81 ACE (0.60) OPRK1ACEACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118853717-A Method for expressing Mouse ZCWPW protein specific structural domain 沃臻生物科技(佛山)有限公司 2024-10-29 — — CN disclosed
CN-118562761-A Crystal structure of monkey pox virus thymidine kinase as well as preparation method and application thereof 重庆医科大学 2024-08-30 — — CN disclosed
CN-113549641-B Ribozyme-mediated polycistronic vector and construction method thereof 复旦大学 2023-12-22 — — CN disclosed
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