SCHEMBL9938233

SCHEMBL9938233

O=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(CCO)n[nH]1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.70
ACE P12821 3/20 0.61

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
SCHEMBL9938228 0.85 MME (0.71) MMEACE
SCHEMBL15464062 0.85 MME (0.71) MMEACE
SCHEMBL9929889 0.84 MME (0.76) MME
SCHEMBL9929893 0.84 MME (0.76) MME
SCHEMBL9937844 0.84 MME (0.75) MMEACE
SCHEMBL15464238 0.83 MME (0.88) MMEACE
SCHEMBL9937367 0.83 MME (0.88) MMEACE
SCHEMBL15464366 0.83 MME (0.77) MMEACE
SCHEMBL9937317 0.83 MME (0.77) MMEACE
SCHEMBL9929768 0.83 MME (0.75) MME

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-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 EP disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO disclosed