SCHEMBL12482007

SCHEMBL12482007

CC(CO)(CC(Cc1ccc(-c2ccccc2F)cc1)NC(=O)c1c[nH]c(=O)o1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.68
▸ ACE P12821 4/20 0.53
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL11969639 1.00 MME (0.68) MMEACEPPARGPPARA
SCHEMBL19788107 1.00 MME (0.68) MMEACEPPARGPPARA
SCHEMBL18922352 0.93 MME (0.58) MMEACEPPARGPPARA
SCHEMBL20681844 0.93 MME (0.58) MMEACEPPARGPPARA
SCHEMBL15468089 0.89 MME (0.67) MMEACE
SCHEMBL12480889 0.83 MME (0.67) MMEACE
SCHEMBL11969828 0.83 MME (0.67) MMEACE
SCHEMBL19788105 0.83 MME (0.67) MMEACE
SCHEMBL19687934 0.82 MME (0.65) MMEACE
SCHEMBL19788108 0.82 MME (0.53) MMEPPARGPPARA

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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