SCHEMBL8552381

SCHEMBL8552381

CC(C)(CCl)C(=O)NC1CCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.47
ROCK2 O75116 3/20 0.46
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
KCNH2 Q12809 3/20 0.44
NOTUM Q6P988 1/20 0.43
ROCK1 Q13464 1/20 0.43
CCR2 P41597 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
CHRM4 P08173 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41

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
SCHEMBL8595364 0.92 MCHR1 (0.47) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8670567 0.92 MCHR1 (0.39) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8554800 0.91 MCHR1 (0.46) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8670568 0.89 SSTR4 (0.46) MCHR1ROCK2DRD2DRD3HDAC6
SCHEMBL8552408 0.87 MCHR1 (0.47) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8670578 0.87 HDAC6 (0.40) MCHR1ROCK2ROCK1HDAC6SSTR4
SCHEMBL8662424 0.82 MCHR1 (0.39) MCHR1DRD2DRD3KCNH2NOTUM
SCHEMBL8554346 0.82 MCHR1 (0.40) MCHR1DRD2DRD3KCNH2NOTUM
SCHEMBL8788912 0.81 ROCK2 (0.46) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL7604788 0.80 ROCK2 (0.53) MCHR1ROCK2DRD2DRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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