SCHEMBL9937332

SCHEMBL9937332

CC(C)OC(=O)[C@H](O)CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1ccc2nnn(O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.65
EMG1 Q92979 2/20 0.65
MME P08473 18/20 0.62
MMEL1 Q495T6 1/20 0.44

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
SCHEMBL9930147 1.00 ACE (0.65) ACEEMG1MMEMMEL1
SCHEMBL9930001 0.92 ACE (0.64) ACEEMG1MMEMMEL1
SCHEMBL9929898 0.92 ACE (0.67) ACEEMG1MMEMMEL1
SCHEMBL9938846 0.90 ACE (0.76) ACEEMG1MME
SCHEMBL9930493 0.90 ACE (0.76) ACEEMG1MME
SCHEMBL17011164 0.90 ACE (0.65) ACEEMG1MMEMMEL1
SCHEMBL9929821 0.89 ACE (0.51) ACEEMG1MMEMMEL1
SCHEMBL17011163 0.89 ACE (0.75) ACEEMG1MME
SCHEMBL23420472 0.89 ACE (0.62) ACEEMG1MMEMMEL1
SCHEMBL17011168 0.89 ACE (0.62) ACEEMG1MMEMMEL1

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