SCHEMBL4540808

SCHEMBL4540808

Cc1cc(NCC(O)(C(F)F)C(F)NC(=O)c2cccc(F)c2F)c2cnn(-c3ccc(F)cc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.56
PGR P06401 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CCR1 P32246 2/20 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
SCHEMBL4076560 0.83 NR3C1 (0.68) NR3C1CYP3A4CYP2C9
SCHEMBL4074636 0.75 NR3C1 (0.64) NR3C1CYP3A4CYP2C9
SCHEMBL4381531 0.72 NR3C1 (0.59) NR3C1PGRCYP3A4CYP2C9
SCHEMBL476774 0.72 NR3C1 (1.00) NR3C1
SCHEMBL476723 0.71 NR3C1 (0.84) NR3C1CYP3A4CYP2C9
SCHEMBL476753 0.70 NR3C1 (0.90) NR3C1
SCHEMBL12663031 0.70 NR3C1 (0.56) NR3C1PGRCYP3A4CYP2C9
SCHEMBL476767 0.70 NR3C1 (0.68) NR3C1
SCHEMBL476781 0.69 NR3C1 (0.88) NR3C1
SCHEMBL476796 0.68 NR3C1 (0.66) NR3C1

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