SCHEMBL5316802

SCHEMBL5316802

COc1ccc2c(ccn2CC(NS(=O)(=O)c2c(C)cc(C)cc2C)C(F)(F)F)c1CC#N

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.64
NR3C2 P08235 18/20 0.64
PGR P06401 13/20 0.64

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
SCHEMBL4065663 0.83 NR3C1 (0.72) NR3C1NR3C2PGR
SCHEMBL4068700 0.79 NR3C1 (0.60) NR3C1NR3C2PGR
SCHEMBL4073757 0.79 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL4066146 0.78 NR3C2 (1.00) NR3C1NR3C2PGR
SCHEMBL4065868 0.77 NR3C1 (0.78) NR3C1NR3C2PGR
SCHEMBL4069224 0.77 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL4069499 0.77 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL4071393 0.76 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL4067589 0.75 NR3C2 (0.71) NR3C1NR3C2PGR
SCHEMBL4408081 0.75 NR3C1 (0.68) NR3C1NR3C2PGR

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-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed