SCHEMBL18672604

SCHEMBL18672604

C[C@H](CC(Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccncn1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.76
▸ MMEL1 Q495T6 8/20 0.76
▸ ACE P12821 2/20 0.61

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
SCHEMBL12317270 1.00 MME (0.76) MMEMMEL1ACE
SCHEMBL10197967 0.86 MME (1.00) MMEMMEL1ACE
SCHEMBL18672629 0.86 MME (1.00) MMEMMEL1ACE
SCHEMBL2873822 0.84 MMEL1 (0.72) MMEMMEL1
SCHEMBL2873816 0.84 MMEL1 (0.72) MMEMMEL1
SCHEMBL18672848 0.84 MME (0.68) MMEMMEL1ACE
SCHEMBL12317315 0.84 MME (0.68) MMEMMEL1ACE
SCHEMBL17667989 0.84 MME (0.84) MMEMMEL1ACE
SCHEMBL12317294 0.84 MME (0.84) MMEMMEL1ACE
SCHEMBL12317311 0.83 MME (0.70) 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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