SCHEMBL18672658

SCHEMBL18672658

CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1c[nH]c(=O)o1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.55
▸ MMEL1 Q495T6 6/20 0.55
▸ ACE P12821 2/20 0.48

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
SCHEMBL12317341 1.00 MME (0.55) MMEMMEL1ACE
SCHEMBL18672533 0.89 MME (0.68) MMEMMEL1ACE
SCHEMBL12317340 0.89 MME (0.68) MMEMMEL1ACE
SCHEMBL2705968 0.89 MME (0.68) MMEMMEL1ACE
SCHEMBL12317369 0.85 MME (0.66) MMEMMEL1ACE
SCHEMBL12803392 0.85 MME (0.66) MMEMMEL1ACE
SCHEMBL18672538 0.85 MME (0.66) MMEMMEL1ACE
SCHEMBL7882839 0.83 MMEL1 (0.57) MMEMMEL1ACE
SCHEMBL18672640 0.83 MMEL1 (0.57) MMEMMEL1ACE
SCHEMBL18672693 0.83 MME (0.54) MMEMMEL1ACE

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-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 — — US disclosed
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