SCHEMBL9940911

SCHEMBL9940911

CCOC(=O)C(O)CC(Cc1ccc(-c2cc(Cl)ccc2C)cc1)NC(=O)c1cn(O)nn1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.51
ACE P12821 1/20 0.43

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
SCHEMBL9930092 1.00 MME (0.51) MMEACE
SCHEMBL9930079 0.93 MME (0.51) MMEACE
SCHEMBL9941241 0.93 MME (0.51) MMEACE
SCHEMBL9930568 0.93 MME (0.53) MMEACE
SCHEMBL9941413 0.93 MME (0.53) MMEACE
SCHEMBL9940924 0.93 MME (0.59) MME
SCHEMBL9929620 0.93 MME (0.59) MME
SCHEMBL9930018 0.92 MME (0.52) MMEACE
SCHEMBL9941084 0.92 MME (0.52) MMEACE
SCHEMBL9929741 0.92 MME (0.53) 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-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