SCHEMBL14765548

SCHEMBL14765548

CCOC(=O)C[C@@H](Cc1ccc(-c2cccc(F)c2)cc1)NC(=O)/C(N)=C/C(=N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 14/20 0.48
▸ ACE P12821 5/20 0.48
▸ MMEL1 Q495T6 5/20 0.48
▸ GPR34 Q9UPC5 1/20 0.39

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
SCHEMBL14765547 0.90 MMEL1 (0.58) MMEACEMMEL1
SCHEMBL12975218 0.86 MMEL1 (0.61) MMEACEMMEL1GPR34
SCHEMBL14765359 0.81 MME (0.49) MMEACEMMEL1GPR34
SCHEMBL14873441 0.80 MME (0.50) MMEACEMMEL1GPR34
SCHEMBL12974911 0.78 MME (0.77) MMEMMEL1
SCHEMBL14952898 0.78 MME (0.77) MMEMMEL1
SCHEMBL8531544 0.77 MME (0.65) MMEACEMMEL1
SCHEMBL12975711 0.77 MME (0.52) MMEACEMMEL1GPR34
SCHEMBL12975548 0.76 MMEL1 (0.59) MMEACEMMEL1
SCHEMBL10197772 0.76 MMEL1 (0.78) 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-8394853-B2 Substituted aminopropionic derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2013-03-12 — — US disclosed
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