SCHEMBL4088183

SCHEMBL4088183

CC(C)CC1=CN(c2ccccc2OC(F)(F)F)C(=O)[N]1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 5/20 0.39
PDE9A O76083 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
SCN9A Q15858 7/20 0.33
P2RX7 Q99572 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
P2RX3 P56373 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
GNRHR P30968 1/20 0.31
HSD11B1 P28845 1/20 0.31

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
SCHEMBL74204 0.68 HCAR1 (0.46) HCAR1PDE9APDE1APDE1BPDE1C
SCHEMBL2662469 0.66 SLC6A2 (0.49) PDE9APDE1APDE1BPDE1CSLC6A2
SCHEMBL27760468 0.65 HCAR1 (0.34) HCAR1SCN9ASLC6A2SLC6A4
SCHEMBL6669542 0.61 HCAR1 (0.40) HCAR1SCN9AP2RX7KDM4ESLC6A2
SCHEMBL4078586 0.61 L3MBTL1 (0.43) HCAR1KDM4EHSD11B1
SCHEMBL26014646 0.60 GABRA1 (0.43) PDE9APDE1APDE1BPDE1CSLC6A2
SCHEMBL27446325 0.60 KCNK3 (0.37) HCAR1PDE9APDE1APDE1BPDE1C
SCHEMBL23102232 0.60 POLB (0.44) SCN9AKDM4E
SCHEMBL5906114 0.59 HCAR1 (0.47) HCAR1PDE9APDE1APDE1BPDE1C
SCHEMBL16915166 0.59 P2RX7 (0.46) HCAR1SCN9AP2RX7SLC6A2HSD11B1

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