SCHEMBL18724857

SCHEMBL18724857

CC(C)[C@H](N)C(=O)OCOC(=O)C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1cc(O)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 18/20 0.53
▸ ACE P12821 8/20 0.53
▸ EMG1 Q92979 2/20 0.47

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
SCHEMBL17011181 1.00 MME (0.53) MMEACEEMG1
SCHEMBL9930506 0.89 MME (0.68) MMEACEEMG1
SCHEMBL18724854 0.89 MME (0.58) MMEACEEMG1
SCHEMBL17011170 0.89 MME (0.58) MMEACEEMG1
SCHEMBL18724754 0.89 ACE (0.59) MMEACEEMG1
SCHEMBL17011180 0.89 ACE (0.59) MMEACEEMG1
SCHEMBL19700289 0.87 MME (0.49) MMEACEEMG1
SCHEMBL17011174 0.87 MME (0.60) MMEACEEMG1
SCHEMBL18724929 0.86 MME (0.49) MMEACEEMG1
SCHEMBL17011364 0.86 MME (0.49) MMEACEEMG1

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
EP-2864292-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-04-12 — — EP disclosed
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