SCHEMBL4083946

SCHEMBL4083946

CN1CN(C2C3CC4CC2CC(O)(C4)C3)CC1(C)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.41
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
HSD11B2 P80365 1/20 0.34

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
SCHEMBL75923 0.78 HSD11B1 (0.49) HSD11B1
SCHEMBL4088681 0.77 HSD11B1 (0.43) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL75286 0.74 HSD11B1 (0.48) HSD11B1
SCHEMBL4082619 0.69 HSD11B1 (0.41) HSD11B1HSD11B2
SCHEMBL77369 0.67 HSD11B1 (0.44) HSD11B1
SCHEMBL13237102 0.67 HSD11B1 (0.58) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL13238074 0.67 HSD11B1 (0.58) HSD11B1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL17082720 0.66 ESR1 (0.46) HSD11B1SLC6A3HSD11B2
SCHEMBL75774 0.66 HSD11B1 (0.48) HSD11B1
SCHEMBL74425 0.65 HSD11B1 (0.40) HSD11B1

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 2 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