SCHEMBL8787181

SCHEMBL8787181

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.49
NOTUM Q6P988 1/20 0.46
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNH2 Q12809 3/20 0.42
CHRM4 P08173 1/20 0.39
SLC5A1 P13866 5/20 0.39
MCHR1 Q99705 1/20 0.39
OPRL1 P41146 1/20 0.39
METAP2 P50579 1/20 0.38
TOP2A P11388 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
GCGR P47871 1/20 0.38
FFAR1 O14842 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
SCHEMBL8788951 0.90 NOTUM (0.42) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL8788513 0.87 CHRM4 (0.41) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL766062 0.84 KMT2A (0.46) NOTUMDRD2DRD3KCNH2
SCHEMBL8788328 0.81 NOTUM (0.38) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL8093681 0.81 NOTUM (0.45) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL14326077 0.80 MAOA (0.47) FFAR4NOTUM
SCHEMBL8556361 0.78 DRD2 (0.44) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL8556168 0.78 DRD2 (0.44) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL8786870 0.77 NOTUM (0.43) FFAR4NOTUMDRD2DRD3KCNH2
SCHEMBL766075 0.76 NOTUM (0.45) NOTUM

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