SCHEMBL9938136

SCHEMBL9938136

COc1cc(C(=O)NC(Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)on1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MME P08473 19/20 0.74
MMEL1 Q495T6 1/20 0.52

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
SCHEMBL23089718 1.00 MME (0.74) MMEMMEL1
SCHEMBL9930038 1.00 MME (0.74) MMEMMEL1
SCHEMBL16930482 0.90 MME (0.70) MME
SCHEMBL9937084 0.86 MME (0.86) MMEMMEL1
SCHEMBL18724706 0.86 MME (0.86) MMEMMEL1
SCHEMBL23089722 0.86 MME (0.86) MMEMMEL1
SCHEMBL9930172 0.86 MME (0.86) MMEMMEL1
SCHEMBL23089774 0.85 MME (1.00) MME
SCHEMBL9938807 0.85 MME (1.00) MME
SCHEMBL19788081 0.85 MME (0.55) MMEMMEL1

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