SCHEMBL16975166

SCHEMBL16975166

CCOC(=O)[C@@H](CC(N)Cc1ccc(-c2cc(Cl)ccc2F)cc1Cl)N=[N+]=[N-]

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 19/20 0.45
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ACE P12821 1/20 0.37

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
SCHEMBL18868466 1.00 MME (0.45) MMECYP3A4CYP2C9ACE
SCHEMBL16930630 1.00 MME (0.45) MMECYP3A4CYP2C9ACE
SCHEMBL16975182 0.88 MME (0.51) MMEACE
SCHEMBL16975153 0.88 MME (0.51) MMEACE
SCHEMBL16930471 0.88 MME (0.51) MMEACE
SCHEMBL18626433 0.86 MME (0.51) MMECYP3A4CYP2C9ACE
SCHEMBL16941161 0.83 MME (0.45) MMECYP3A4CYP2C9
SCHEMBL28420704 0.75 MME (0.39) MMECYP3A4CYP2C9ACE
SCHEMBL28466049 0.75 MME (0.39) MMECYP3A4CYP2C9
SCHEMBL28466050 0.75 MME (0.39) MMECYP3A4CYP2C9

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-3099678-A1 NEPRILYSIN INHIBITORS Theravance Biopharma R&D IP, LLC (US) 2016-12-07 — — EP disclosed
WO-2015116786-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-08-06 — — WO disclosed
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