SCHEMBL3739907

SCHEMBL3739907

CCC(CN1CCCc2cc(Br)ccc21)NS(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.46
NR3C2 P08235 17/20 0.46
PGR P06401 16/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 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
SCHEMBL3644414 1.00 NR3C1 (0.46) NR3C1NR3C2PGRHDAC1HDAC8
SCHEMBL3680318 0.87 HDAC1 (0.46) NR3C1NR3C2PGRHDAC1HDAC8
SCHEMBL3638909 0.87 HDAC1 (0.46) NR3C1NR3C2PGRHDAC1HDAC8
SCHEMBL13593767 0.82 NR3C1 (0.47) NR3C1NR3C2PGRMAPT
SCHEMBL4078502 0.79 NR3C2 (0.48) NR3C1NR3C2PGRMAPT
SCHEMBL3645992 0.77 CHRM2 (0.46) NR3C1NR3C2PGRMAPT
SCHEMBL4069425 0.76 NR3C1 (0.49) NR3C1NR3C2PGRMAPT
SCHEMBL4075473 0.74 NR3C1 (0.47) NR3C1NR3C2PGRMAPT
SCHEMBL4071357 0.73 NR3C1 (0.48) NR3C1NR3C2PGRHDAC1HDAC6
SCHEMBL3686531 0.73 L3MBTL1 (0.53) NR3C1HDAC1HDAC6MAPT

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-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP claimed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO claimed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP disclosed
WO-2009015067-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed