SCHEMBL8552408

SCHEMBL8552408

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.47
ROCK2 O75116 4/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
KCNH2 Q12809 3/20 0.45
NOTUM Q6P988 1/20 0.43
ROCK1 Q13464 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CCR2 P41597 2/20 0.42
FPR1 P21462 1/20 0.41
FPR2 P25090 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 0.87 MCHR1 (0.47) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8552381 0.87 MCHR1 (0.47) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8554800 0.86 MCHR1 (0.46) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8662419 0.83 MCHR1 (0.39) MCHR1DRD2DRD3KCNH2NOTUM
SCHEMBL8662936 0.82 MCHR1 (0.40) MCHR1DRD2DRD3KCNH2NOTUM
SCHEMBL8788912 0.82 ROCK2 (0.46) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL7608380 0.81 ROCK2 (0.53) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL6507548 0.81 ROCK2 (0.53) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL7604788 0.81 ROCK2 (0.53) MCHR1ROCK2DRD2DRD3KCNH2
SCHEMBL8670567 0.79 MCHR1 (0.39) 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