SCHEMBL4558178

SCHEMBL4558178

CC(CC(N)=O)C(Oc1cc2cnn(-c3ccc(F)cc3)c2cc1Cl)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.47
PGR P06401 2/20 0.45
MAPK1 P28482 1/20 0.43

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
SCHEMBL13315352 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL413160 0.85 NR3C1 (0.47) NR3C1PGR
SCHEMBL835082 0.83 NR3C1 (0.67) NR3C1PGR
SCHEMBL836164 0.83 NR3C1 (0.67) NR3C1PGR
SCHEMBL835431 0.83 NR3C1 (0.67) NR3C1PGR
SCHEMBL835430 0.83 NR3C1 (0.67) NR3C1PGR
SCHEMBL835081 0.83 NR3C1 (0.67) NR3C1PGR
SCHEMBL835625 0.81 NR3C1 (0.70) NR3C1PGR
SCHEMBL834957 0.81 NR3C1 (0.70) NR3C1PGR
SCHEMBL835624 0.81 NR3C1 (0.70) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009142589-A1 COMBINATION OF (A) GLUCOCORTICOID RECEPTOR MODULATOR AND (B) A MUSCARINIC ANTAGONIST ASTRAZENECA AB (SE) 2009-11-26 WO disclosed