SCHEMBL9937844

SCHEMBL9937844

O=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1cc(-c2cccnc2)n[nH]1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.75
ACE P12821 2/20 0.61

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
SCHEMBL9938751 0.91 MME (0.87) MMEACE
SCHEMBL15464488 0.91 MME (0.87) MMEACE
SCHEMBL15464367 0.90 MME (0.61) MMEACE
Trifluoroacetic Acid SCHEMBL29582786 0.88 MME (0.59) MMEACE
SCHEMBL9929651 0.87 MME (0.62) MMEACE
SCHEMBL15464238 0.87 MME (0.88) MMEACE
SCHEMBL9937367 0.87 MME (0.88) MMEACE
SCHEMBL9929822 0.86 MME (0.78) MMEACE
SCHEMBL9937317 0.85 MME (0.77) MMEACE
SCHEMBL15464366 0.85 MME (0.77) 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