SCHEMBL19840281

SCHEMBL19840281

COC(=O)N[C@@H](C(=O)OCOC(=O)C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)c1ccc2nnn(O)c2c1)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 9/20 0.60
▸ EMG1 Q92979 2/20 0.60
▸ MME P08473 18/20 0.48
▸ MMEL1 Q495T6 1/20 0.40

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
SCHEMBL24022288 1.00 ACE (0.60) ACEEMG1MMEMMEL1
SCHEMBL17011362 1.00 ACE (0.60) ACEEMG1MMEMMEL1
SCHEMBL17011168 0.90 ACE (0.62) ACEEMG1MMEMMEL1
SCHEMBL23420472 0.90 ACE (0.62) ACEEMG1MMEMMEL1
SCHEMBL17011164 0.90 ACE (0.65) ACEEMG1MMEMMEL1
SCHEMBL17011167 0.88 ACE (0.77) ACEEMG1MME
SCHEMBL19825614 0.88 ACE (0.77) ACEEMG1MME
SCHEMBL19825615 0.88 ACE (0.77) ACEEMG1MME
SCHEMBL17011159 0.88 ACE (0.77) ACEEMG1MMEMMEL1
SCHEMBL9930001 0.88 ACE (0.64) ACEEMG1MMEMMEL1

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-9884807-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-02-06 — — US disclosed
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