SCHEMBL15564481

SCHEMBL15564481

CC(CO)(CC(Cc1ccc(Br)cc1)NC(=O)c1c[nH]nn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.55
ACE P12821 4/20 0.50
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL15467595 1.00 MME (0.55) MMEACECTSSCTSK
SCHEMBL26380748 0.92 MME (0.47) MMEACECTSSCTSK
SCHEMBL11969744 0.90 MME (0.66) MMEACE
SCHEMBL15202178 0.90 MME (0.66) MMEACE
SCHEMBL15467742 0.86 MME (0.56) MMEACE
SCHEMBL19687924 0.86 MME (0.56) MMEACE
SCHEMBL19687841 0.85 MME (0.58) MMEACE
SCHEMBL15472630 0.85 MME (0.58) MMEACE
SCHEMBL19687840 0.84 MME (0.55) MMEACE
SCHEMBL15472652 0.84 MME (0.58) 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-2882716-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2015-06-17 EP disclosed
WO-2014025891-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2014-02-13 WO disclosed