SCHEMBL8788931

SCHEMBL8788931

CN(C(=O)NC(C)(C)C(F)(F)F)C1CCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.44
NOTUM Q6P988 1/20 0.42
ROCK2 O75116 3/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
ROCK1 Q13464 1/20 0.39
LIPE Q05469 1/20 0.38
OPRL1 P41146 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL7609608 0.92 MCHR1 (0.45) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL7610426 0.92 MCHR1 (0.45) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL8788912 0.77 ROCK2 (0.46) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL5114064 0.76 MCHR1 (0.46) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL14212022 0.74 MCHR1 (0.50) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL5100800 0.73 MCHR1 (0.44) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL9273396 0.73 NOTUM (0.59) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL7611287 0.73 MCHR1 (0.54) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL7605538 0.73 MCHR1 (0.54) MCHR1NOTUMROCK2DRD2DRD3
SCHEMBL7609591 0.73 NOTUM (0.52) MCHR1NOTUMROCK2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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