SCHEMBL18575929

SCHEMBL18575929

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.60
▸ ACE P12821 4/20 0.60
▸ MMEL1 Q495T6 4/20 0.54

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
SCHEMBL17164911 1.00 MME (0.60) MMEACEMMEL1
SCHEMBL21239962 0.91 MME (0.65) MMEACEMMEL1
SCHEMBL17746035 0.91 MME (0.65) MMEACEMMEL1
SCHEMBL25129465 0.90 MME (0.64) MMEACEMMEL1
SCHEMBL21727312 0.90 MME (0.64) MMEACEMMEL1
SCHEMBL17164927 0.90 MME (0.74) MMEACEMMEL1
Sacubitril SCHEMBL22420467 0.88 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL18059568 0.88 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL2707112 0.88 MME (0.77) MMEACEMMEL1
Sacubitril SCHEMBL8214132 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017033212-A1 PREPARATION OF SACUBITRIL AND SALT THEREOF AND NOVEL COMPOUNDS USED IN THE PROCESS ACTAVIS GROUP PTC EHF. (IS) 2017-03-02 — — WO disclosed
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