SCHEMBL8551967

SCHEMBL8551967

CS(=O)(=O)OC1CCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.52
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 1/20 0.48
NOTUM Q6P988 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL7609602 1.00 MCHR1 (0.52) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL7610270 1.00 MCHR1 (0.52) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL5827041 0.85 CA12 (0.53) MCHR1NOTUM
SCHEMBL18740369 0.83 MCHR1 (0.54) MCHR1
SCHEMBL7607513 0.82 MCHR1 (0.53) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL7041206 0.82 HSD11B1 (0.46) MCHR1ROCK2NOTUM
SCHEMBL7605538 0.81 MCHR1 (0.54) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL7611287 0.81 MCHR1 (0.54) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL7608385 0.80 NOTUM (0.52) MCHR1ROCK2ROCK1NOTUMDRD2
SCHEMBL7609591 0.80 NOTUM (0.52) MCHR1ROCK2ROCK1NOTUMDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
EP-0863894-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1998-09-16 EP disclosed
US-5705456-A AZETIDIN-2-ONES ZENECA LIMITED (GB) 1998-01-06 US disclosed
WO-1997020838-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES ZENECA LIMITED (GB) 1997-06-12 WO disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed