SCHEMBL4087939

SCHEMBL4087939

COc1ccccc1N1C=C(CC(C)C)[N]C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
APLNR P35414 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NTSR1 P30989 1/20 0.38
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
ADRA1A P35348 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
METAP2 P50579 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35

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
SCHEMBL76308 0.65 GAA (0.53) MGLLAPLNRKDM4EHPGDGAA
SCHEMBL16844190 0.62 P2RX7 (0.41) MGLLKDM4ENTSR1POLBKMT2A
SCHEMBL878976 0.62 IDO1 (0.53) HPGDGAAL3MBTL1MEN1KMT2A
SCHEMBL27899604 0.60 MGLL (0.48) MGLLKDM4EHPGDGAAL3MBTL1
SCHEMBL6899084 0.60 CA12 (0.46) KDM4EHPGDALDH1A1MAPT
SCHEMBL19327311 0.59 ATM (0.56) MGLLHPGDPOLBMEN1KMT2A
SCHEMBL29439366 0.59 MGLL (1.00) MGLLGAAMEN1KMT2AALDH1A1
SCHEMBL13231606 0.59 HTT (0.52) MGLLKDM4EHPGDDRD3MEN1
SCHEMBL141734 0.59 MGLL (1.00) MGLLGAAMEN1KMT2AALDH1A1
SCHEMBL12304200 0.58 DRD2 (0.66) KDM4EADRA1ADRD3KMT2AALDH1A1

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