Sugi Predict

Sugi Predict / Compounds / Sacubitril

Sacubitril

Sacubitril

SCHEMBL29554043

CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-].CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MME

The experimentally established mechanism targets of Sacubitril. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME known ✓ P08473 12/20 0.63
▸ ACE P12821 4/20 0.63
▸ MMEL1 Q495T6 3/20 0.55

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
Sacubitril SCHEMBL21239956 1.00 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL21239957 1.00 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL21239966 0.98 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL21239967 0.98 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL28471087 0.98 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL29490800 0.98 MME (0.63) MMEACEMMEL1
Sacubitril SCHEMBL1908525 0.90 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL18059568 0.90 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL18059569 0.90 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL8214132 0.90 MME (0.77) MMEACEMMEL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601741-B Galenic formulations of organic compounds 诺华股份有限公司 2022-05-24 — — CN claimed
EP-3325013-B2 STIMULATORS / ACTIVATORS OF SOLUBLE GUANYLAT CYCLASE IN COMBINATION WITH A NEP-INHIBITOR AND AN ANGIOTENSIN AII-ANTAGONIST AND THE USE THEREOF Bayer Pharma AG (DE) 2023-07-19 — — EP disclosed
CN-109415308-B Novel method for early-stage sabcomet intermediate 诺华股份有限公司 2022-09-06 — — CN disclosed
CN-108601741-B Galenic formulations of organic compounds 诺华股份有限公司 2022-05-24 — — CN disclosed
Send feedback