SCHEMBL18035099

SCHEMBL18035099

COc1cccc(OCC(=O)N[C@H](Cc2ccc(-c3cccc(Cl)c3)cc2)C[C@H](O)C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 18/20 0.68
▸ ACE P12821 9/20 0.68
▸ GPR34 Q9UPC5 2/20 0.58
▸ MMEL1 Q495T6 2/20 0.56

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
SCHEMBL16008601 1.00 MME (0.68) MMEACEGPR34MMEL1
SCHEMBL16008132 0.92 MME (0.74) MMEACEGPR34MMEL1
SCHEMBL16009025 0.88 MME (0.77) MMEACEMMEL1
SCHEMBL16008325 0.87 MME (0.70) MMEACEGPR34MMEL1
SCHEMBL16011784 0.87 MME (0.70) MMEACEGPR34MMEL1
SCHEMBL16008666 0.86 MME (0.66) MMEACEGPR34MMEL1
SCHEMBL19582914 0.84 MME (0.74) MMEACEMMEL1
SCHEMBL16008324 0.84 MME (0.74) MMEACEMMEL1
SCHEMBL16009111 0.84 MME (0.74) MMEACEMMEL1
SCHEMBL23055194 0.83 MME (0.73) MMEACEMMEL1

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-9428457-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-08-30 — — US claimed
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