SCHEMBL9941314

SCHEMBL9941314

O=C(NC(Cc1ccc(-c2ccccc2)cc1Cl)CC(O)C(=O)O)c1c[nH]nn1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 0.66
▸ ACE P12821 3/20 0.66

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
SCHEMBL15463769 1.00 MME (0.66) MMEACE
SCHEMBL18409026 0.85 MME (0.72) MME
SCHEMBL9929779 0.85 MME (0.66) MMEACE
SCHEMBL9941361 0.85 MME (0.66) MMEACE
SCHEMBL15464305 0.81 MME (0.69) MMEACE
SCHEMBL14890619 0.80 MME (1.00) MMEACE
SCHEMBL18597765 0.80 MME (1.00) MMEACE
SCHEMBL9930290 0.79 MME (0.74) MMEACE
SCHEMBL9929744 0.79 MME (0.62) MMEACE
SCHEMBL9937046 0.79 MME (0.74) 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
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