SCHEMBL16768803

SCHEMBL16768803

O=C(N[C@H](Cc1ccc(-c2ccccc2)cc1)C[C@@H](O)C(=O)OCCCCO[N+](=O)[O-])c1cc(O)no1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 20/20 0.56
▸ ACE P12821 1/20 0.42

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
SCHEMBL16770404 0.89 MME (0.60) MME
SCHEMBL23089729 0.83 MME (0.65) MME
SCHEMBL9929895 0.83 MME (0.65) MME
SCHEMBL16768805 0.82 MME (0.61) MMEACE
SCHEMBL23089721 0.81 MME (0.82) MMEACE
SCHEMBL9929761 0.81 MME (0.82) MMEACE
SCHEMBL18409010 0.80 MME (0.69) MMEACE
SCHEMBL18409008 0.80 MME (0.69) MMEACE
SCHEMBL18427216 0.80 MME (0.69) MMEACE
SCHEMBL16768804 0.79 HDAC1 (0.48) 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-2855464-B1 NITRIC OXIDE DONOR NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2016-10-26 — — EP disclosed
US-9045443-B2 Nitric oxide donor neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-06-02 — — US disclosed
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