SCHEMBL4083480

SCHEMBL4083480

CC(C)C1=CN(C2(c3ccc(Cl)cc3)CC2)C(=O)[N]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC6A4 P31645 9/20 0.34
SLC6A3 Q01959 9/20 0.34
HSD11B1 P28845 2/20 0.33
NR1I2 O75469 1/20 0.33
CCR2 P41597 2/20 0.33
CNR1 P21554 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
SLC6A2 P23975 3/20 0.31
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR2A P28223 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL73932 0.64 SLC6A4 (0.34) CYP11B1CYP11B2SLC6A4SLC6A3HSD11B1
SCHEMBL12263179 0.57 SLC6A4 (0.58) SLC6A4SLC6A3CCR2TP53CYP3A4
SCHEMBL14349294 0.57 SLC6A3 (0.47) SLC6A4SLC6A3CNR1TP53CYP3A4
SCHEMBL10743825 0.56 CYP19A1 (0.57) CYP11B1CYP11B2HSD11B1TP53TSHR
SCHEMBL19913415 0.55 ALDH1A1 (0.46) SLC6A4SLC6A3HSD11B1CCR2CNR1
SCHEMBL15043635 0.55 SLC6A4 (0.45) SLC6A4SLC6A3TP53CYP3A4ALOX15
SCHEMBL15042319 0.55 SLC6A3 (0.45) SLC6A4SLC6A3CCR2CNR1TP53
SCHEMBL10178092 0.55 SLC6A4 (0.45) SLC6A4SLC6A3CNR1TP53CYP3A4
SCHEMBL12158567 0.55 HSD11B1 (0.51) SLC6A4SLC6A3HSD11B1CCR2
SCHEMBL15043692 0.54 SLC6A4 (0.49) SLC6A4SLC6A3CNR1TP53CYP3A4

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-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP claimed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO claimed
EP-2104665-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. Hoffmann-Roche AG (CH) 2009-09-30 EP disclosed
WO-2008046758-A2 IMIDAZOLONE AND IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed