SCHEMBL13740650

SCHEMBL13740650

CC(O)(CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cnn[nH]1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 18/20 0.54
▸ ACE P12821 1/20 0.47
▸ MMEL1 Q495T6 2/20 0.45

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
SCHEMBL11969353 1.00 MME (0.54) MMEACEMMEL1
SCHEMBL11969407 1.00 MME (0.54) MMEACEMMEL1
SCHEMBL11969623 0.91 MME (0.59) MMEACEMMEL1
SCHEMBL11969630 0.91 MME (0.59) MMEACEMMEL1
SCHEMBL11969536 0.89 MME (0.47) MMEACEMMEL1
SCHEMBL11970038 0.88 MME (0.69) MMEACE
SCHEMBL12480836 0.88 MME (0.69) MMEACE
SCHEMBL19875312 0.88 MME (0.69) MMEACE
SCHEMBL11969569 0.88 MME (0.69) MMEACE
SCHEMBL12480732 0.88 MME (0.69) 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-2675792-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-12-25 — — EP disclosed
WO-2012154249-A1 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-11-15 — — WO disclosed
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