SCHEMBL765432

SCHEMBL765432

CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)NCCOc2ccccc2C[C@H](C)CNC(=O)[C@H](CN)NC1=O

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MLNR O43193 19/20 0.82
GHSR Q92847 1/20 0.54

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
SCHEMBL10242214 0.92 MLNR (0.69) MLNRGHSR
SCHEMBL10150187 0.90 MLNR (1.00) MLNR
SCHEMBL11982921 0.89 MLNR (0.69) MLNR
SCHEMBL11982875 0.89 MLNR (0.69) MLNR
SCHEMBL17081904 0.89 MLNR (0.67) MLNRGHSR
SCHEMBL13392244 0.83 MLNR (0.88) MLNR
SCHEMBL13392456 0.83 MLNR (1.00) MLNR
SCHEMBL13696717 0.82 MLNR (0.69) MLNRGHSR
SCHEMBL75370 0.82 MLNR (0.85) MLNR
SCHEMBL13010990 0.82 MLNR (0.62) MLNRGHSR

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
US-9133235-B2 Macrocyclic antagonists of the motilin receptor for treatment of gastrointestinal dysmotility disorders OCERA THERAPEUTICS, INC. (US) 2015-09-15 US disclosed
EP-2431380-A2 Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders Tranzyme Pharma, Inc. (US) 2012-03-21 EP disclosed