SCHEMBL4550490

SCHEMBL4550490

CCC(CNc1ccc2c(cnn2-c2ccccc2F)c1)NS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.46
PGR P06401 8/20 0.44
NR3C2 P08235 7/20 0.44
SMO Q99835 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3215358 0.86 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4566694 0.86 NR3C1 (0.62) NR3C1PGRCYP3A4CYP2C9
SCHEMBL4551721 0.84 NR3C1 (0.52) NR3C1PGRNR3C2SMOCYP3A4
SCHEMBL4551861 0.82 SMN1; SMN2 (0.44) NR3C1SMO
SCHEMBL4552036 0.75 NR3C1 (0.53) NR3C1PGRSMO
SCHEMBL3226574 0.75 NR3C1 (0.67) NR3C1PGRNR3C2
SCHEMBL3210494 0.73 NR3C1 (0.51) NR3C1PGRNR3C2
SCHEMBL3221497 0.72 NR3C1 (0.46) NR3C1PGRSMO
SCHEMBL3219044 0.71 NR3C1 (0.51) NR3C1PGRNR3C2CYP3A4CYP2C9
SCHEMBL3224128 0.71 NR3C1 (0.49) NR3C1PGRNR3C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2136634-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP claimed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO claimed
EP-2136634-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2009-12-30 EP disclosed
WO-2008124665-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-16 WO disclosed