SCHEMBL8308725

SCHEMBL8308725

CC(C)(C)OC(=O)ON1CCc2ccc(N)cc2C1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.65
ESR2 Q92731 2/20 0.41
HSD17B3 P37058 1/20 0.37
DRD2 P14416 6/20 0.35
CHRM4 P08173 1/20 0.35
HTR7 P34969 1/20 0.35
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
PDK2 Q15119 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP8 P22894 4/20 0.34
MMP3 P08254 2/20 0.34
ESR1 P03372 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL8591886 0.86 ESR2 (0.57) NR1H2ESR2DRD2ESR1
SCHEMBL7745997 0.82 NR1H2 (0.54) NR1H2ESR2HSD17B3BRD4ATAD2
SCHEMBL8311268 0.81 DRD2 (0.52) NR1H2ESR2DRD2
SCHEMBL7284689 0.81 ESR2 (0.64) NR1H2ESR2DRD2ESR1
SCHEMBL29507781 0.79 NR1H2 (1.00) NR1H2ESR2NPC1RAB9AESR1
SCHEMBL308035 0.79 NR1H2 (1.00) NR1H2ESR2NPC1RAB9AESR1
SCHEMBL2306894 0.76 NR1H2 (0.85) NR1H2ESR2NPC1RAB9A
SCHEMBL8311248 0.76 HSD17B3 (0.48) NR1H2HSD17B3DRD2LIPE
SCHEMBL4928220 0.74 NR1H2 (0.85) NR1H2ESR2BRD4ATAD2NPC1
SCHEMBL2307910 0.74 ESR2 (0.56) NR1H2ESR2DRD2PDK2MMP8

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
EP-0937723-A1 Novel sulfonamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed