SCHEMBL8636003

SCHEMBL8636003

CN(C(=O)CC(C)(C)C)C1OCN(c2cccc(OC(F)(F)F)c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
OPRL1 P41146 1/20 0.39
NOTUM Q6P988 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
KCNH2 Q12809 3/20 0.39
CCKBR P32239 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LIPE Q05469 2/20 0.36
SLC5A1 P13866 4/20 0.36
METAP2 P50579 1/20 0.35
PIM1 P11309 1/20 0.35
GCGR P47871 1/20 0.35
TOP2A P11388 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL8661826 0.88 MCHR1 (0.39) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL9267232 0.80 LIPE (0.46) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8093681 0.76 NOTUM (0.45) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL8786870 0.75 NOTUM (0.43) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL8787181 0.75 FFAR4 (0.49) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL8788951 0.74 NOTUM (0.42) MCHR1NOTUMDRD2DRD3KCNH2
SCHEMBL8556168 0.73 DRD2 (0.44) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL8556361 0.73 DRD2 (0.44) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL6507723 0.73 DRD2 (0.42) MCHR1OPRL1NOTUMDRD2DRD3
SCHEMBL8607080 0.73 NOTUM (0.40) MCHR1OPRL1NOTUMDRD2DRD3

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
EP-0828720-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1998-03-18 EP disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1996037483-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5-HYDROXY-OXAZOLIDIN-4-ONE ZENECA LIMITED (GB) 1996-11-28 WO disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed