SCHEMBL18672714

SCHEMBL18672714

CCOC(=O)[C@H](C)CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 0.54
▸ MMEL1 Q495T6 5/20 0.54
▸ EPHX2 P34913 2/20 0.49
▸ PPARG P37231 2/20 0.49
▸ ACE P12821 2/20 0.45

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
SCHEMBL12317374 1.00 MME (0.54) MMEMMEL1EPHX2PPARGACE
SCHEMBL18672594 0.90 MME (0.67) MMEMMEL1ACE
SCHEMBL12317276 0.90 MME (0.67) MMEMMEL1ACE
SCHEMBL18672769 0.87 MME (0.49) MMEMMEL1EPHX2PPARGACE
SCHEMBL12317406 0.87 MME (0.49) MMEMMEL1EPHX2PPARGACE
SCHEMBL6122203 0.82 MME (0.56) MMEMMEL1ACE
SCHEMBL2707455 0.82 MME (0.56) MMEMMEL1ACE
SCHEMBL2705976 0.82 MME (0.79) MMEMMEL1ACE
SCHEMBL18672713 0.81 MME (0.56) MMEMMEL1ACE
SCHEMBL12317396 0.81 MME (0.56) 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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