SCHEMBL18672702

SCHEMBL18672702

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

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 7/20 0.53
▸ MME P08473 12/20 0.52
▸ ACE P12821 3/20 0.52
▸ EPHX2 P34913 1/20 0.44
▸ PPARG P37231 1/20 0.44

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
SCHEMBL12317366 1.00 MMEL1 (0.53) MMEL1MMEACEEPHX2PPARG
SCHEMBL12317387 0.91 MMEL1 (0.69) MMEL1MMEACE
SCHEMBL18672766 0.91 MMEL1 (0.69) MMEL1MMEACE
SCHEMBL18672603 0.88 MME (0.67) MMEL1MMEACE
SCHEMBL12317227 0.88 MME (0.67) MMEL1MMEACE
SCHEMBL598732 0.87 MME (0.56) MMEL1MMEACE
SCHEMBL1908579 0.87 MME (0.56) MMEL1MMEACE
SCHEMBL12341502 0.83 MME (0.55) MMEL1MMEACE
SCHEMBL20072203 0.82 MME (0.56) MMEL1MMEACE
SCHEMBL21098742 0.82 MME (0.56) MMEL1MMEACE

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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