SCHEMBL9941108

SCHEMBL9941108

COc1ccccc1C(=O)Nc1cc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.74

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
SCHEMBL9930055 1.00 MME (0.74) MME
SCHEMBL9929567 0.85 MME (1.00) MME
SCHEMBL9929566 0.85 MME (1.00) MME
SCHEMBL9930024 0.82 MME (1.00) MME
SCHEMBL15464342 0.82 MME (0.90) MME
SCHEMBL9937384 0.82 MME (0.90) MME
SCHEMBL9929951 0.81 MME (0.73) MME
SCHEMBL9929902 0.81 MME (1.00) MME
SCHEMBL9930043 0.80 MME (1.00) MME
SCHEMBL9930045 0.80 MME (1.00) MME

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