SCHEMBL836628

SCHEMBL836628

COc1cccc([C@@H](Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H](C)NC(=O)C(=O)O)c1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.82
PGR P06401 3/20 0.82

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
SCHEMBL836629 1.00 NR3C1 (0.82) NR3C1PGR
SCHEMBL834373 0.93 NR3C1 (0.82) NR3C1PGR
SCHEMBL833896 0.93 NR3C1 (0.81) NR3C1PGR
SCHEMBL835893 0.93 NR3C1 (0.81) NR3C1PGR
SCHEMBL13315341 0.92 NR3C1 (0.84) NR3C1PGR
SCHEMBL836288 0.91 NR3C1 (0.84) NR3C1PGR
SCHEMBL836287 0.91 NR3C1 (0.84) NR3C1PGR
SCHEMBL835086 0.91 NR3C1 (0.78) NR3C1PGR
SCHEMBL4218315 0.91 NR3C1 (0.78) NR3C1PGR
SCHEMBL850639 0.91 NR3C1 (0.78) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP claimed
EP-2102169-B1 INDAZOLYL AMIDE DERIVATIVES FOR THE TREATMENT OF GLUCOCORTICOID RECEPTOR MEDIATED DISORDERS ASTRAZENECA AB (SE) 2012-06-20 EP disclosed
US-8143290-B2 Chemical compounds 572 ASTRAZENECA AB (SE) 2012-03-27 US disclosed
WO-2009142568-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A B2-AGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed