SCHEMBL28344119

SCHEMBL28344119

CCCCCCOC(=O)CCC(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](C)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 5/20 0.58
▸ MME P08473 11/20 0.57
▸ ACE P12821 5/20 0.57

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
SCHEMBL17746035 0.90 MME (0.65) MMEL1MMEACE
SCHEMBL21239962 0.90 MME (0.65) MMEL1MMEACE
SCHEMBL1908574 0.89 MME (0.59) MMEL1MMEACE
SCHEMBL1909815 0.89 MME (0.59) MMEL1MMEACE
SCHEMBL21727312 0.87 MME (0.64) MMEL1MMEACE
SCHEMBL28190605 0.86 MME (0.65) MMEL1MMEACE
Sacubitril SCHEMBL8214132 0.85 MME (0.77) MMEL1MMEACE
Sacubitril SCHEMBL18059568 0.85 MME (0.77) MMEL1MMEACE
Sacubitril SCHEMBL2707112 0.85 MME (0.77) MMEL1MMEACE
Sacubitril SCHEMBL18059569 0.85 MME (0.77) MMEL1MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-107980038-B Calcium salt of Shakuba Trigonella 诺华股份有限公司 2021-04-27 — — CN disclosed
CN-112574132-A Preparation method of shakubiqu valsartan sodium 广东东阳光药业有限公司 2021-03-30 — — CN disclosed
CN-107250100-B process and intermediates for preparing NEP inhibitors 诺华股份有限公司 2019-12-06 — — CN disclosed
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