SCHEMBL6026302

SCHEMBL6026302

CCOC(=O)c1nc(C)n(C2CC2)c1C.Cc1nc(C(O)C2CC2)c(C)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.33
CNR2 P34972 1/20 0.32
OGFRL1 Q5TC84 4/20 0.32
OPRM1 P35372 3/20 0.32
OPRK1 P41145 3/20 0.32
OPRD1 P41143 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KMT2A Q03164 1/20 0.30
RCE1 Q9Y256 1/20 0.30
ELANE P08246 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
SCHEMBL5038584 0.81 GRK6 (0.44) GRK6CNR2OGFRL1OPRM1OPRK1
SCHEMBL2681871 0.76 CNR2 (0.50) GRK6CNR2OGFRL1OPRM1OPRK1
SCHEMBL6026299 0.73 GRK6 (0.39) GRK6CNR2OGFRL1OPRM1OPRK1
SCHEMBL11482936 0.64 CYP1A2 (0.47) KDM4EALDH1A1HPGDMAPTPPARG
SCHEMBL4734637 0.63 CNR2 (0.48) CNR2OGFRL1OPRM1OPRK1OPRD1
SCHEMBL14886782 0.61 HPGD (0.38) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL12926023 0.60 KMT2A (0.46) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL16268486 0.60 GRK6 (0.42) GRK6OGFRL1OPRM1OPRK1OPRD1
SCHEMBL21771639 0.59 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTPPARG
SCHEMBL30668018 0.59 GRK6 (0.43) GRK6OGFRL1OPRM1OPRK1OPRD1

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-1644351-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005003117-A1 IMIDAZOLE DERIVATIVES III F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed