SCHEMBL6230117

SCHEMBL6230117

COc1ccc(F)cc1C(C)(CCc1cc(C(F)(F)F)cc(Cl)c1F)CC(N)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.38
NR3C2 P08235 13/20 0.38
PGR P06401 5/20 0.38

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
SCHEMBL6226627 0.86 NR3C1 (0.35) NR3C1NR3C2PGR
SCHEMBL6226560 0.77 NR3C1 (0.50) NR3C1NR3C2PGR
SCHEMBL4437967 0.77 NR3C1 (0.38) NR3C1NR3C2PGR
SCHEMBL3652176 0.75 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL6230116 0.74 NR3C1 (0.43) NR3C1NR3C2PGR
SCHEMBL3651469 0.73 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL5381739 0.72 NR3C1 (0.53) NR3C1NR3C2PGR
SCHEMBL3658141 0.72 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL292879 0.71 NR3C1 (0.71) NR3C1NR3C2PGR
SCHEMBL9988168 0.70 NR3C1 (0.41) 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
EP-1511716-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-09 EP claimed
WO-2003101932-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-11 WO claimed
EP-1511716-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-03-09 EP disclosed
WO-2003101932-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-11 WO disclosed