SCHEMBL6276417

SCHEMBL6276417

CC1OC(C)(C)c2cc(-c3ccc(C#N)n3C(=O)O)ccc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.53
NR3C1 P04150 2/20 0.42
NR3C2 P08235 2/20 0.42
AR P10275 2/20 0.42

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
SCHEMBL4909392 0.87 PGR (0.48) PGRNR3C1NR3C2AR
SCHEMBL6772819 0.86 PGR (0.54) PGR
SCHEMBL7686696 0.84 PGR (0.74) PGRNR3C1NR3C2AR
SCHEMBL3874234 0.81 PGR (0.72) PGRNR3C1
SCHEMBL3991099 0.74 PGR (0.74) PGRNR3C1NR3C2AR
SCHEMBL6433927 0.74 PGR (0.72) PGR
SCHEMBL3986855 0.73 PGR (0.64) PGRNR3C1NR3C2AR
SCHEMBL6408891 0.73 PGR (0.73) PGR
SCHEMBL1223535 0.73 PGR (0.49) PGR
SCHEMBL4911165 0.72 PGR (0.68) PGRNR3C1NR3C2AR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO disclosed