SCHEMBL9937084

SCHEMBL9937084

COc1cc(C(=O)NC(Cc2ccc(-c3cccc(Cl)c3)cc2)C[C@@H](O)C(=O)O)on1

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.86
ACE P12821 6/20 0.62
MMEL1 Q495T6 2/20 0.55

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
SCHEMBL23089722 1.00 MME (0.86) MMEACEMMEL1
SCHEMBL9930172 1.00 MME (0.86) MMEACEMMEL1
SCHEMBL18724706 1.00 MME (0.86) MMEACEMMEL1
SCHEMBL9938807 0.93 MME (1.00) MMEACE
SCHEMBL23089774 0.93 MME (1.00) MMEACE
SCHEMBL17011200 0.91 MME (0.72) MMEACEMMEL1
SCHEMBL23420686 0.91 MME (0.71) MMEACEMMEL1
SCHEMBL18724917 0.89 MME (0.69) MMEACEMMEL1
SCHEMBL17011203 0.89 MME (0.69) MMEACEMMEL1
SCHEMBL19690362 0.89 MME (0.69) 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 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