SCHEMBL9267232

SCHEMBL9267232

CC(C)(C)CC(=O)NC1OCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.46
CCKBR P32239 1/20 0.41
MCHR1 Q99705 1/20 0.40
NOTUM Q6P988 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
KCNH2 Q12809 3/20 0.39
MAPT P10636 1/20 0.39
DPP4 P27487 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
PIM1 P11309 1/20 0.38
CHRM4 P08173 1/20 0.38
SLC5A1 P13866 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
METAP2 P50579 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL8636488 0.86 MEN1 (0.40) NOTUMDRD2DRD3MAPT
SCHEMBL8662936 0.84 MCHR1 (0.40) CCKBRMCHR1NOTUMDRD2DRD3
SCHEMBL8554346 0.84 MCHR1 (0.40) CCKBRMCHR1NOTUMDRD2DRD3
SCHEMBL8662266 0.83 MCHR1 (0.40) CCKBRMCHR1NOTUMDRD2DRD3
SCHEMBL6507723 0.82 DRD2 (0.42) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8885582 0.81 DRD2 (0.42) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8636003 0.80 MCHR1 (0.40) LIPECCKBRMCHR1NOTUMDRD2
SCHEMBL8661826 0.78 MCHR1 (0.39) LIPECCKBRMCHR1NOTUMDRD2
SCHEMBL8093681 0.76 NOTUM (0.45) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8607080 0.75 NOTUM (0.40) CCKBRMCHR1NOTUMDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed