SCHEMBL4079042

SCHEMBL4079042

O=C1NC2(Cc3ccccc3C2)CN1C1C2CC3CC1CC(CO)(C3)C2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
CYP2C9 P11712 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD11B1 P28845 6/20 0.36
HSD11B2 P80365 1/20 0.34
CHRM3 P20309 4/20 0.32
CHRM2 P08172 3/20 0.32
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CNR2 P34972 2/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL75243 0.85 HSD11B1 (0.47) HSD11B1
SCHEMBL76369 0.82 CHRM3 (0.33) HSD11B1CHRM3CHRM2
SCHEMBL4084349 0.82 CHRM3 (0.33) HSD11B1CHRM3CHRM2
SCHEMBL4262880 0.82 HSD11B1 (0.42) HSD11B1HSD11B2ALDH1A1LMNACNR2
SCHEMBL75319 0.81 CNR2 (0.41) ALDH1A1LMNACNR2KDM4ESMN1; SMN2
SCHEMBL4255753 0.79 CNR2 (0.34) HSD11B1ALDH1A1LMNACNR2SMN1; SMN2
SCHEMBL76313 0.79 CNR2 (0.41) ALDH1A1LMNACNR2KDM4ESMN1; SMN2
SCHEMBL4253053 0.78 CNR2 (0.40) HSD11B1ALDH1A1LMNACNR2KDM4E
SCHEMBL75817 0.78 CNR2 (0.40) HSD11B1ALDH1A1LMNACNR2KDM4E
SCHEMBL4259160 0.78 CNR2 (0.40) HSD11B1ALDH1A1CNR2KDM4ENPSR1

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