SCHEMBL4082176

SCHEMBL4082176

NCc1cccc(CNC2CCCNC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.42
CXCR4 P61073 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
PARP1 P09874 2/20 0.39
EED O75530 1/20 0.39
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CCNT1 O60563 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRKCZ Q05513 1/20 0.36

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
SCHEMBL28159654 0.83 ACHE (0.52) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL21799448 0.82 ALDH1A1 (0.59) ALDH1A1POLBCXCR4PARP1KDM4E
SCHEMBL2687312 0.82 SLC6A2 (0.52) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL994345 0.82 SLC6A2 (0.52) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL4696319 0.78 SLC6A2 (0.51) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL19918759 0.76 PARP1 (0.60) PARP1
SCHEMBL8545499 0.74 PARP1 (0.41) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL18580011 0.74 LIPG (0.44) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL18580013 0.74 LIPG (0.44) ALDH1A1POLBSLC6A2SLC6A4SLC6A3
SCHEMBL2097947 0.74 ALDH1A1 (0.40) ALDH1A1POLBCXCR4PARP1PRMT6

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 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