SCHEMBL5693240

SCHEMBL5693240

CC(C)CN(C)c1ccc(C#N)c(C(F)(F)F)c1.CCN(CC)c1ccc(C#N)c(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 19/20 0.50
PGR P06401 1/20 0.50
S1PR1 P21453 1/20 0.39

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
SCHEMBL3057810 0.94 AR (0.55) ARPGRS1PR1
SCHEMBL3059975 0.87 AR (0.54) ARPGR
SCHEMBL3054642 0.81 AR (0.59) ARPGR
SCHEMBL5175526 0.80 AR (0.48) ARPGR
SCHEMBL3051139 0.79 AR (0.56) ARPGR
SCHEMBL13326442 0.77 AR (0.53) ARPGRS1PR1
SCHEMBL3047904 0.77 AR (0.60) ARPGR
SCHEMBL1380477 0.77 AR (0.51) ARPGR
SCHEMBL3289697 0.77 AR (0.55) ARPGRS1PR1
SCHEMBL4901837 0.76 AR (0.61) ARPGRS1PR1

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-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO disclosed