SCHEMBL12481447

SCHEMBL12481447

CCOC(=O)C(CO)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1nc(O)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 0.55
▸ ACE P12821 3/20 0.48

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
SCHEMBL11969967 1.00 MME (0.55) MMEACE
SCHEMBL11969755 0.90 MME (0.58) MMEACE
SCHEMBL12481558 0.89 MME (0.68) MMEACE
SCHEMBL11969919 0.89 MME (0.68) MMEACE
SCHEMBL11970092 0.82 MME (0.56) MMEACE
SCHEMBL11969621 0.82 MME (0.67) MMEACE
SCHEMBL11969666 0.81 MME (0.62) MME
SCHEMBL11969720 0.81 MME (0.56) MMEACE
SCHEMBL11969970 0.81 MME (0.56) MMEACE
SCHEMBL11969936 0.79 MME (0.54) MMEACE

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
EP-2675795-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-12-25 — — EP disclosed
WO-2012112742-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-08-23 — — WO disclosed
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