SCHEMBL4491059

SCHEMBL4491059

CC(C)(CC(O)(CN1CCN(c2ccccc2C=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.53
NR3C2 P08235 15/20 0.53
PGR P06401 10/20 0.53

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
SCHEMBL4470861 0.89 NR3C1 (0.66) NR3C1NR3C2PGR
SCHEMBL4467206 0.88 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4485580 0.87 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4468476 0.79 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL4491053 0.79 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL4469146 0.79 NR3C1 (0.61) NR3C1NR3C2PGR
SCHEMBL4474870 0.78 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4475008 0.78 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4474979 0.77 NR3C1 (0.62) NR3C1NR3C2PGR
SCHEMBL6227820 0.77 NR3C1 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US claimed
EP-1583745-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-10-12 EP claimed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO claimed
US-7579469-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed