SCHEMBL689664

SCHEMBL689664

CCOC(=O)OC1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1cc(OC(=O)NCCc3ccccn3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.51
ESR1 P03372 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL274552 0.91 NR1H4 (0.64) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL689354 0.90 NR1H4 (0.54) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4533490 0.88 NR1H4 (0.52) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL688586 0.88 NR1H4 (0.49) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL689200 0.86 NR1H4 (0.52) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL275461 0.86 NR1H4 (0.64) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL689267 0.85 NR1H4 (0.57) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL689518 0.85 NR1H4 (0.61) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL272913 0.85 NR1H4 (0.66) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4511813 0.84 NR1H4 (0.55) NR1H4ESR1NR3C1PGRNR3C2

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
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP claimed