SCHEMBL6225534

SCHEMBL6225534

COc1ccc(F)cc1C(C)(C)CC(O)(CN1CC(C)N(CC=O)C(C)C1)C(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.71
NR3C2 P08235 15/20 0.71
PGR P06401 4/20 0.54

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
SCHEMBL4485672 0.89 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL4483414 0.86 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4479384 0.85 NR3C1 (0.74) NR3C1NR3C2PGR
SCHEMBL292593 0.83 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL6224236 0.83 NR3C1 (0.63) NR3C1NR3C2PGR
SCHEMBL6228329 0.82 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL4467191 0.82 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL292265 0.82 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL4471145 0.82 NR3C1 (0.77) NR3C1NR3C2PGR
Hydrochloric Acid SCHEMBL4481193 0.81 NR3C1 (0.98) 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 disclosed
WO-2004063163-A1 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed