SCHEMBL8788951

SCHEMBL8788951

O=C(Cl)CC1OCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
KCNH2 Q12809 3/20 0.41
METAP2 P50579 1/20 0.40
CHRM4 P08173 4/20 0.39
MCHR1 Q99705 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CYP3A4 P08684 1/20 0.37
SLC5A1 P13866 3/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL8787181 0.90 FFAR4 (0.49) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8788513 0.83 CHRM4 (0.41) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8788328 0.80 NOTUM (0.38) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8093681 0.80 NOTUM (0.45) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8556361 0.80 DRD2 (0.44) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8556168 0.77 DRD2 (0.44) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8786870 0.76 NOTUM (0.43) NOTUMFFAR4DRD2DRD3KCNH2
SCHEMBL8791460 0.76 AR (0.43) NOTUM
SCHEMBL6507723 0.74 DRD2 (0.42) NOTUMDRD2DRD3KCNH2MCHR1
SCHEMBL8554346 0.74 MCHR1 (0.40) NOTUMFFAR4DRD2DRD3KCNH2

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