SCHEMBL13010644

SCHEMBL13010644

CC(C)[C@H]1NC(=O)NCCOc2ccccc2C[C@H](C)CNC(=O)[C@H](CNC(=N)N)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MLNR O43193 20/20 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
SCHEMBL13409773 0.85 MLNR (0.58) MLNR
SCHEMBL13409798 0.85 MLNR (0.58) MLNR
SCHEMBL13409805 0.85 MLNR (0.58) MLNR
SCHEMBL11982875 0.83 MLNR (0.69) MLNR
SCHEMBL11982921 0.83 MLNR (0.69) MLNR
SCHEMBL21417660 0.82 MLNR (0.52) MLNR
SCHEMBL14037153 0.80 MLNR (0.47) MLNR
SCHEMBL14011118 0.79 MLNR (0.54) MLNR
SCHEMBL12220295 0.76 MLNR (0.78) MLNR
SCHEMBL13409777 0.76 MLNR (0.71) MLNR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648922-B1 SPATIALLY-DEFINED MACROCYCLIC COMPOUNDS USEFUL FOR DRUG DISCOVERY TRANZYME PHARMA INC (CA) 2010-12-01 EP disclosed