SCHEMBL19787718

SCHEMBL19787718

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.54
ACE P12821 4/20 0.50
MMEL1 Q495T6 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
SCHEMBL19787719 0.92 MME (0.52) MMEACEMMEL1
SCHEMBL19788111 0.91 MME (0.52) MMEACEMMEL1
SCHEMBL19687838 0.91 MME (0.54) MMEACEMMEL1
SCHEMBL15467210 0.91 MME (0.54) MMEACEMMEL1
SCHEMBL19787720 0.90 MME (0.52) MMEACEMMEL1
SCHEMBL19687833 0.89 MME (0.53) MMEACE
SCHEMBL15467353 0.89 MME (0.53) MMEACE
SCHEMBL15202178 0.89 MME (0.66) MMEACEMMEL1
SCHEMBL11969744 0.89 MME (0.66) MMEACEMMEL1
SCHEMBL20681825 0.88 MME (0.51) 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 2 patents. 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
US-9873685-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed