SCHEMBL8554346

SCHEMBL8554346

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
CCKBR P32239 1/20 0.38
METAP2 P50579 1/20 0.38
NOTUM Q6P988 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
KCNH2 Q12809 3/20 0.38
GCGR P47871 2/20 0.38
CHRM4 P08173 1/20 0.37
P2RX3 P56373 2/20 0.37
SLC5A1 P13866 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ACACB O00763 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 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
SCHEMBL8662266 0.91 MCHR1 (0.40) MCHR1CCKBRMETAP2NOTUMDRD2
SCHEMBL8662936 0.86 MCHR1 (0.40) MCHR1CCKBRMETAP2NOTUMDRD2
SCHEMBL9267232 0.84 LIPE (0.46) MCHR1CCKBRMETAP2NOTUMDRD2
SCHEMBL8552381 0.82 MCHR1 (0.47) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8662424 0.82 MCHR1 (0.39) MCHR1CCKBRMETAP2NOTUMDRD2
SCHEMBL6507723 0.80 DRD2 (0.42) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8885582 0.79 DRD2 (0.42) MCHR1METAP2NOTUMDRD2DRD3
SCHEMBL8788951 0.74 NOTUM (0.42) MCHR1METAP2NOTUMDRD2DRD3
SCHEMBL8093681 0.74 NOTUM (0.45) MCHR1METAP2NOTUMDRD2DRD3
SCHEMBL8556361 0.74 DRD2 (0.44) MCHR1METAP2NOTUMDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203599-A Substitued pyrrolidinone, thiazolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 1998-12-30 CN disclosed
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