SCHEMBL4399766

SCHEMBL4399766

CCCNCC(O)(C=O)CNc1cc(C)cc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.55
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 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
SCHEMBL476796 0.88 NR3C1 (0.66) NR3C1
SCHEMBL12663030 0.87 NR3C1 (0.54) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4399769 0.83 NR3C1 (0.52) NR3C1PGRCYP3A4CYP2C9
SCHEMBL476767 0.82 NR3C1 (0.68) NR3C1
SCHEMBL12663031 0.80 NR3C1 (0.56) NR3C1PGRCYP3A4CYP2C9
SCHEMBL476867 0.79 NR3C1 (0.69) NR3C1
SCHEMBL4381531 0.78 NR3C1 (0.59) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4396956 0.78 NR3C1 (0.56) NR3C1
SCHEMBL4390636 0.78 NR3C1 (0.53) NR3C1
SCHEMBL476766 0.74 NR3C1 (0.66) NR3C1PGRCYP3A4CYP2C9

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