SCHEMBL8236334

SCHEMBL8236334

O=C1COc2ccc(-c3c(C(=O)O)cnn3-c3ccc(F)cc3)cc2N1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 19/20 0.71
NR3C1 P04150 1/20 0.58
PGR P06401 5/20 0.51
AR P10275 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4294294 0.87 NR3C2 (0.78) NR3C2NR3C1PGRAR
SCHEMBL4288195 0.86 NR3C2 (0.64) NR3C2NR3C1PGRAR
SCHEMBL4291403 0.85 NR3C2 (0.78) NR3C2NR3C1PGRARMAPT
SCHEMBL4302060 0.85 NR3C2 (0.75) NR3C2NR3C1PGRAR
SCHEMBL4291105 0.85 NR3C2 (0.75) NR3C2NR3C1PGRAR
SCHEMBL4289194 0.85 NR3C2 (0.75) NR3C2NR3C1PGRARMAPT
SCHEMBL4298363 0.83 NR3C2 (1.00) NR3C2NR3C1PGRAR
SCHEMBL4295732 0.82 NR3C2 (0.71) NR3C2NR3C1PGRARMAPT
SCHEMBL4288624 0.80 NR3C2 (0.72) NR3C2NR3C1PGR
SCHEMBL4293804 0.79 NR3C2 (0.73) NR3C2NR3C1PGRMAPT

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-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed