SCHEMBL689125

SCHEMBL689125

CCOC(=O)OC1=CN(C(=O)c2ccc(F)c(F)c2)CC2(CCCC2)c2c1[nH]c1ccccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62
ESR1 P03372 1/20 0.51
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
NR3C2 P08235 1/20 0.51
AR P10275 1/20 0.51

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
SCHEMBL273597 0.88 NR1H4 (0.80) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL3728500 0.86 NR1H4 (0.80) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL10289869 0.85 NR1H4 (0.58) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL13258940 0.84 NR1H4 (0.82) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL13258943 0.81 NR1H4 (0.60) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4529631 0.81 NR1H4 (0.59) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL13284308 0.80 NR1H4 (0.52) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4519777 0.79 NR1H4 (0.59) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL688553 0.78 NR1H4 (0.60) NR1H4ESR1NR3C1PGRNR3C2
SCHEMBL4524962 0.77 NR1H4 (0.61) 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