SCHEMBL18724875

SCHEMBL18724875

CCOC(=O)OCOC(=O)C(O)C[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)NC(=O)/C(=N/N)NN

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 16/20 0.57
▸ ACE P12821 9/20 0.57
▸ MMEL1 Q495T6 4/20 0.45
▸ EMG1 Q92979 1/20 0.42

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
SCHEMBL14890730 0.88 MME (0.74) MMEACEMMEL1
SCHEMBL23420221 0.84 MME (0.57) MMEACEMMEL1EMG1
SCHEMBL14900581 0.84 MME (0.59) MMEACEMMEL1EMG1
SCHEMBL18724988 0.82 MME (0.56) MMEACEMMEL1EMG1
SCHEMBL17011374 0.82 MME (0.56) MMEACEMMEL1EMG1
SCHEMBL18783219 0.81 MME (0.69) MMEACEMMEL1
SCHEMBL17011202 0.81 MME (0.54) MMEACEMMEL1
SCHEMBL18597739 0.80 MME (0.82) MMEACEMMEL1
SCHEMBL17011205 0.80 MME (0.50) MMEACEMMEL1EMG1
SCHEMBL16011776 0.80 MME (0.82) 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
EP-2864292-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-04-12 — — EP disclosed
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