SCHEMBL18672548

SCHEMBL18672548

C[C@@H](CC(Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)C(F)(F)C(F)(F)C(=O)O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMEL1 Q495T6 6/20 0.75
▸ MME P08473 16/20 0.68
▸ ACE P12821 7/20 0.58

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
SCHEMBL18672775 1.00 MMEL1 (0.75) MMEL1MMEACE
SCHEMBL12317429 1.00 MMEL1 (0.75) MMEL1MMEACE
SCHEMBL12317454 1.00 MMEL1 (0.75) MMEL1MMEACE
SCHEMBL12317387 0.90 MMEL1 (0.69) MMEL1MMEACE
SCHEMBL18672766 0.90 MMEL1 (0.69) MMEL1MMEACE
SCHEMBL18672603 0.90 MME (0.67) MMEL1MMEACE
SCHEMBL12317227 0.90 MME (0.67) MMEL1MMEACE
SCHEMBL14952856 0.86 MMEL1 (1.00) MMEL1MMEACE
SCHEMBL8530931 0.86 MMEL1 (1.00) MMEL1MMEACE
SCHEMBL8530935 0.82 MMEL1 (0.77) 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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