SCHEMBL9941241

SCHEMBL9941241

CCOC(=O)C(O)CC(Cc1ccc(-c2cc(Cl)ccc2Cl)cc1)NC(=O)c1cn(O)nn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.51
MMEL1 Q495T6 1/20 0.48
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
SCHEMBL9930079 1.00 MME (0.51) MMEMMEL1ACE
SCHEMBL9940911 0.93 MME (0.51) MMEACE
SCHEMBL9930092 0.93 MME (0.51) MMEACE
SCHEMBL9929620 0.93 MME (0.59) MMEMMEL1
SCHEMBL9940924 0.93 MME (0.59) MMEMMEL1
SCHEMBL9929751 0.92 MME (0.53) MMEMMEL1ACE
SCHEMBL9941348 0.91 MME (0.53) MMEMMEL1ACE
SCHEMBL9929753 0.91 MME (0.53) MMEMMEL1ACE
SCHEMBL9930310 0.91 MME (0.53) MMEMMEL1ACE
SCHEMBL9930102 0.90 MME (0.57) MMEMMEL1

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