SCHEMBL18672713

SCHEMBL18672713

CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccnc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 15/20 0.56
▸ MMEL1 Q495T6 4/20 0.56
▸ 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
SCHEMBL12317396 1.00 MME (0.56) MMEMMEL1ACE
SCHEMBL12317372 0.91 MME (0.60) MMEMMEL1ACE
SCHEMBL18672540 0.91 MME (0.60) MMEMMEL1ACE
SCHEMBL12803905 0.91 MME (0.60) MMEMMEL1ACE
SCHEMBL12317282 0.89 MME (0.70) MMEMMEL1ACE
SCHEMBL18672614 0.89 MME (0.70) MMEMMEL1ACE
SCHEMBL17667987 0.89 MME (0.70) MMEMMEL1ACE
SCHEMBL12803640 0.86 MME (0.61) MMEMMEL1ACE
SCHEMBL18672539 0.86 MME (0.61) MMEMMEL1ACE
SCHEMBL12317371 0.86 MME (0.61) 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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