SCHEMBL4400812

SCHEMBL4400812

CCCNCC(C)(O)C(F)Nc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 16/20 0.47
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
CCR1 P32246 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL476766 0.82 NR3C1 (0.66) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4400814 0.82 NR3C1 (0.54) NR3C1PGRCYP3A4CYP2C9TRPV1
SCHEMBL4396953 0.80 NR3C1 (0.49) NR3C1
SCHEMBL476735 0.76 NR3C1 (0.68) NR3C1PGRCYP3A4CYP2C9
SCHEMBL12663027 0.74 NR3C1 (0.56) NR3C1PGRCYP3A4CYP2C9TRPV1
SCHEMBL476762 0.74 NR3C1 (0.67) NR3C1
SCHEMBL12663246 0.73 NR3C1 (0.54) NR3C1CCR1
SCHEMBL4106128 0.73 NR3C1 (0.54) NR3C1PGRCYP3A4CYP2C9TRPV1
SCHEMBL4404083 0.73 NR3C1 (0.41) NR3C1CYP3A4CYP2C9CCR1CYP17A1
SCHEMBL4390639 0.72 NR3C1 (0.50) 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