SCHEMBL9937726

SCHEMBL9937726

CC(C)CN(C)C(=O)c1cc(C(=O)NC(Cc2ccc(-c3ccccc3)cc2)C[C@@H](O)C(=O)O)[nH]n1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MME P08473 20/20 0.87

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
SCHEMBL9930202 1.00 MME (0.87) MME
SCHEMBL9930028 1.00 MME (0.87) MME
SCHEMBL9929942 0.91 MME (0.73) MME
SCHEMBL9938842 0.91 MME (0.73) MME
SCHEMBL9929631 0.91 MME (0.73) MME
SCHEMBL9930529 0.90 MME (0.78) MME
SCHEMBL9930009 0.89 MME (0.75) MME
SCHEMBL9930050 0.88 MME (0.88) MME
SCHEMBL9929747 0.88 MME (0.88) MME
SCHEMBL18408972 0.88 MME (0.88) 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