SCHEMBL28586326

SCHEMBL28586326

CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)CC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.56
▸ ACE P12821 8/20 0.56
▸ SLC1A3 P43003 1/20 0.47
▸ SLC1A2 P43004 1/20 0.47
▸ SLC1A1 P43005 1/20 0.47
▸ ANPEP P15144 2/20 0.46
▸ RNPEP Q9H4A4 1/20 0.46
▸ DNPEP Q9ULA0 1/20 0.46
▸ SRR Q9GZT4 2/20 0.42
▸ PSAT1 Q9Y617 2/20 0.42

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
SCHEMBL28632127 1.00 MME (0.56) MMEACESLC1A3SLC1A2SLC1A1
SCHEMBL28586322 1.00 MME (0.56) MMEACESLC1A3SLC1A2SLC1A1
SCHEMBL16232067 0.86 MME (0.59) MMEACESRRPSAT1
SCHEMBL598890 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL21572784 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL24404055 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL18574633 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL609953 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL597164 0.81 GPR88 (0.49) MMEACESRRPSAT1
SCHEMBL18059571 0.81 GPR88 (0.49) MMEACESRRPSAT1

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-113135836-A Preparation method of Sacubitril calcium salt 鲁南制药集团股份有限公司 2021-07-20 — — CN disclosed
CN-113135841-A Preparation method of Sacubitril intermediate 鲁南制药集团股份有限公司 2021-07-20 — — CN disclosed
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