SCHEMBL9942413

SCHEMBL9942413

O=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1ccc(=O)n(Cc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 1.00
▸ ACE P12821 3/20 0.63

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
SCHEMBL9942414 1.00 MME (1.00) MMEACE
SCHEMBL9930615 1.00 MME (1.00) MMEACE
SCHEMBL9940128 0.88 MME (1.00) MMEACE
SCHEMBL9937032 0.88 MME (1.00) MMEACE
SCHEMBL9929955 0.84 MME (1.00) MME
SCHEMBL9929952 0.84 MME (1.00) MME
SCHEMBL9929953 0.84 MME (1.00) MME
SCHEMBL15464063 0.81 MME (1.00) MME
SCHEMBL15464065 0.81 MME (1.00) MME
SCHEMBL15464064 0.81 MME (1.00) 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
Send feedback