SCHEMBL6269130

SCHEMBL6269130

COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2c(c1)CC(=O)N2)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.63
NR3C2 P08235 10/20 0.62
PGR P06401 2/20 0.59

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
SCHEMBL5520054 0.81 NR3C1 (0.88) NR3C1NR3C2PGR
SCHEMBL5527832 0.80 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL3682964 0.80 NR3C1 (0.63) NR3C1NR3C2PGR
SCHEMBL5527599 0.79 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL5521640 0.78 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL5528775 0.78 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL5519547 0.78 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL5524856 0.78 NR3C1 (0.83) NR3C1NR3C2PGR
SCHEMBL5526040 0.78 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL292527 0.78 NR3C1 (0.84) 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-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