SCHEMBL16012072

SCHEMBL16012072

O=C(NNC(=O)c1ccncc1)C(=O)NC(Cc1ccc(-c2cccc(Cl)c2)cc1)C[C@@H](O)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.69
▸ ACE P12821 10/20 0.69
▸ EMG1 Q92979 1/20 0.53

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
SCHEMBL16008692 1.00 MME (0.69) MMEACEEMG1
SCHEMBL16011650 0.90 MME (0.66) MMEACEEMG1
SCHEMBL16008209 0.90 MME (0.66) MMEACEEMG1
SCHEMBL16783787 0.88 MME (0.70) MMEACEEMG1
SCHEMBL16008912 0.87 MME (0.66) MMEACEEMG1
SCHEMBL16011785 0.87 MME (0.66) MMEACEEMG1
SCHEMBL16014109 0.86 MME (0.68) MMEACEEMG1
SCHEMBL16010196 0.86 MME (0.68) MMEACEEMG1
SCHEMBL16008146 0.86 MME (0.73) MMEACE
SCHEMBL16008705 0.84 MME (0.78) 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-2964616-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-01-13 — — EP disclosed
WO-2014138053-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-12 — — WO disclosed
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