SCHEMBL9937486

SCHEMBL9937486

O=C(NC(Cc1ccc(-c2ccccc2)cc1Cl)CC(O)C(=O)O)c1cc(-c2ccccn2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 1.00
ACE P12821 1/20 0.61

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
SCHEMBL9930618 1.00 MME (1.00) MMEACE
SCHEMBL9929822 0.88 MME (0.78) MMEACE
SCHEMBL9930525 0.87 MME (1.00) MME
SCHEMBL9937367 0.87 MME (0.88) MMEACE
SCHEMBL15464238 0.87 MME (0.88) MMEACE
SCHEMBL9930290 0.85 MME (0.74) MMEACE
SCHEMBL9937046 0.85 MME (0.74) MMEACE
SCHEMBL15464028 0.83 MME (0.71) MMEACE
SCHEMBL15464305 0.82 MME (0.69) MMEACE
SCHEMBL9929536 0.78 MME (0.70) MMEACE

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-2651896-A1 NEPRILYSIN INHIBITORS Theravance, Inc. (US) 2013-10-23 EP disclosed
WO-2012082853-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-06-21 WO disclosed