SCHEMBL18672602

SCHEMBL18672602

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 13/20 1.00
▸ MMEL1 Q495T6 8/20 1.00
▸ ACE P12821 2/20 0.69

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
SCHEMBL2707484 1.00 MME (1.00) MMEMMEL1ACE
SCHEMBL18672611 0.84 MME (0.77) MMEMMEL1ACE
SCHEMBL9565409 0.84 MME (0.81) MMEMMEL1ACE
SCHEMBL8552272 0.84 MME (0.77) MMEMMEL1ACE
SCHEMBL18672816 0.84 MME (0.72) MMEMMEL1ACE
SCHEMBL8580218 0.84 MME (0.72) MMEMMEL1ACE
Lbq-657 SCHEMBL7433849 0.82 MME (1.00) MMEMMEL1ACE
Lbq-657 SCHEMBL391633 0.82 MME (1.00) MMEMMEL1ACE
Lbq-657 SCHEMBL489122 0.82 MME (1.00) MMEMMEL1ACE
Lbq-657 SCHEMBL1908575 0.82 MME (1.00) 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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