SCHEMBL19788089

SCHEMBL19788089

CC(C)CC(=O)OCCC(C)(C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1c[nH]nn1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 18/20 0.51
ACE P12821 4/20 0.48
MMEL1 Q495T6 2/20 0.41

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
SCHEMBL19787720 0.92 MME (0.52) MMEACEMMEL1
SCHEMBL19788048 0.91 MME (0.51) MMEACEMMEL1
SCHEMBL19788111 0.90 MME (0.52) MMEACEMMEL1
SCHEMBL19788049 0.89 MME (0.54) MMEACEMMEL1
SCHEMBL19788092 0.86 MME (0.51) MMEACE
SCHEMBL15202178 0.86 MME (0.66) MMEACEMMEL1
SCHEMBL11969744 0.86 MME (0.66) MMEACEMMEL1
SCHEMBL22414088 0.85 MME (0.53) MMEACEMMEL1
SCHEMBL18922342 0.85 MME (0.53) MMEACEMMEL1
SCHEMBL19787719 0.84 MME (0.52) MMEACEMMEL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873685-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed