SCHEMBL4390639

SCHEMBL4390639

CCCNCC(C)(O)C(=O)Nc1cccc2c1cnn2-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.50
CCR1 P32246 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4390636 0.81 NR3C1 (0.53) NR3C1
SCHEMBL476762 0.81 NR3C1 (0.67) NR3C1
SCHEMBL12663246 0.80 NR3C1 (0.54) NR3C1CCR1
SCHEMBL4399769 0.78 NR3C1 (0.52) NR3C1
SCHEMBL4404083 0.75 NR3C1 (0.41) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL476811 0.74 NR3C1 (0.69) NR3C1
SCHEMBL476766 0.73 NR3C1 (0.66) NR3C1
SCHEMBL4386491 0.72 NR3C1 (0.60) NR3C1CCR1CYP17A1CYP1A2
SCHEMBL4400814 0.72 NR3C1 (0.54) NR3C1
SCHEMBL4400812 0.72 NR3C1 (0.47) 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