SCHEMBL4456539

SCHEMBL4456539

COc1cccc(CC(N)CCOc2ccc3c(cnn3-c3ccc(F)cc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.52
PGR P06401 1/20 0.49
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
SMO Q99835 2/20 0.42
AR P10275 1/20 0.41

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
SCHEMBL837633 0.84 NR3C1 (0.49) NR3C1PGRSMO
SCHEMBL4327025 0.80 NR3C1 (0.55) NR3C1PGRCYP11B1CYP11B2AR
SCHEMBL836751 0.78 CYP11B2 (0.67) NR3C1PGRCYP11B1CYP11B2
SCHEMBL3814256 0.76 NR3C1 (0.52) NR3C1PGRSMO
SCHEMBL836675 0.74 NR3C1 (0.65) NR3C1PGR
SCHEMBL4556584 0.74 NR3C1 (0.72) NR3C1PGR
SCHEMBL10280432 0.74 NR3C1 (0.72) NR3C1PGR
SCHEMBL834662 0.74 NR3C1 (0.72) NR3C1PGR
SCHEMBL4462756 0.74 NR3C1 (0.72) NR3C1PGR
SCHEMBL4558006 0.74 NR3C1 (0.72) NR3C1PGR

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-2102169-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS AstraZeneca AB (SE) 2009-09-23 EP disclosed
WO-2008076048-A1 INDAZOLYL ESTER AND AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed