SCHEMBL7611287

SCHEMBL7611287

CC(C)(C)C(=O)O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.54
NOTUM Q6P988 1/20 0.48
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
LIPE Q05469 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL7605538 1.00 MCHR1 (0.54) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL7607513 0.88 MCHR1 (0.53) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL8788455 0.87 MCHR1 (0.52) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL7613749 0.85 MCHR1 (0.50) MCHR1NOTUM
SCHEMBL8685457 0.82 MCHR1 (0.50) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL7610270 0.81 MCHR1 (0.52) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL7609602 0.81 MCHR1 (0.52) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL8551967 0.81 MCHR1 (0.52) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL9273396 0.80 NOTUM (0.59) MCHR1NOTUMROCK2ROCK1DRD2
SCHEMBL7608385 0.79 NOTUM (0.52) MCHR1NOTUMROCK2ROCK1DRD2

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-0863872-B1 PREPARATION OF CHIRAL 3-HYDROXY-2-PYRROLIDINONE DERIVATIVES SYNGENTA LTD (GB) 2002-05-29 EP disclosed