SCHEMBL16014109

SCHEMBL16014109

O=C(NNNc1ccncc1)C(=O)NC(Cc1ccc(-c2cccc(Cl)c2)cc1)CC(O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.68
▸ ACE P12821 10/20 0.68
▸ EMG1 Q92979 1/20 0.49
▸ MMEL1 Q495T6 1/20 0.49

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
SCHEMBL16010196 1.00 MME (0.68) MMEACEEMG1MMEL1
SCHEMBL16783787 0.95 MME (0.70) MMEACEEMG1MMEL1
SCHEMBL16010347 0.91 MME (0.65) MMEACEEMG1MMEL1
SCHEMBL16008146 0.89 MME (0.73) MMEACEMMEL1
SCHEMBL16008712 0.87 MME (0.76) MMEACEMMEL1
SCHEMBL16008692 0.86 MME (0.69) MMEACEEMG1
SCHEMBL16012072 0.86 MME (0.69) MMEACEEMG1
SCHEMBL16008106 0.86 MME (0.74) MMEACEMMEL1
SCHEMBL16008018 0.85 MME (0.76) MMEACEMMEL1
SCHEMBL16783776 0.85 MME (0.67) MMEACEEMG1MMEL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964616-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-01-13 — — EP disclosed
WO-2014138053-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-09-12 — — WO disclosed
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