SCHEMBL4386491

SCHEMBL4386491

CC(O)(CF)CNc1cccc2c1cnn2-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.60
CCR1 P32246 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL12663247 0.85 NR3C1 (0.56) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL4397360 0.85 NR3C1 (0.61) NR3C1
SCHEMBL476811 0.83 NR3C1 (0.69) NR3C1
SCHEMBL12663246 0.82 NR3C1 (0.54) NR3C1CCR1
SCHEMBL476762 0.81 NR3C1 (0.67) NR3C1
SCHEMBL12663027 0.77 NR3C1 (0.56) NR3C1CYP17A1CYP1A2
SCHEMBL4381531 0.75 NR3C1 (0.59) NR3C1
SCHEMBL4390636 0.75 NR3C1 (0.53) NR3C1
SCHEMBL476760 0.75 NR3C1 (1.00) NR3C1
SCHEMBL4106128 0.75 NR3C1 (0.54) NR3C1CCR1CYP17A1CYP1A2

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-2081910-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-07-29 EP disclosed
WO-2008043789-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed