SCHEMBL9941361

SCHEMBL9941361

O=C(NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O)c1c[nH]nn1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.66
▸ ACE P12821 6/20 0.66
▸ EMG1 Q92979 1/20 0.57

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
SCHEMBL9929779 1.00 MME (0.66) MMEACEEMG1
SCHEMBL18409026 0.91 MME (0.72) MME
SCHEMBL11969975 0.90 MME (0.56) MMEACE
SCHEMBL16930658 0.86 MME (0.56) MMEACE
SCHEMBL9941314 0.85 MME (0.66) MMEACE
SCHEMBL15463769 0.85 MME (0.66) MMEACE
SCHEMBL9929871 0.84 MME (0.71) MMEACE
SCHEMBL9963915 0.83 MME (0.66) MMEACEEMG1
SCHEMBL15467397 0.82 MME (0.63) MMEACE
SCHEMBL19687925 0.82 MME (0.63) 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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