SCHEMBL13610924

SCHEMBL13610924

O=[N+]([O-])c1ccc2ccn(CC(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)c2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.52
PGR P06401 1/20 0.39
SMO Q99835 1/20 0.39
AR P10275 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL4286476 0.94 NR3C1 (0.52) NR3C1PGRSMOCYP11B1CYP11B2
SCHEMBL4283291 0.88 NR3C1 (0.60) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4279047 0.87 NR3C1 (0.58) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4285041 0.85 NR3C1 (0.59) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4288032 0.85 NR3C1 (0.56) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4285162 0.85 NR3C1 (0.62) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4286710 0.84 NR3C1 (0.51) NR3C1PGRSMO
SCHEMBL4273883 0.84 NR3C1 (0.59) NR3C1PGRSMO
SCHEMBL4286455 0.84 NR3C1 (0.61) NR3C1PGRCYP11B1CYP11B2
SCHEMBL4283417 0.83 NR3C1 (0.50) NR3C1PGRSMO

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
US-7622594-B2 Glucocortioid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed