SCHEMBL5203394

SCHEMBL5203394

CC(C)(CC(O)(CNc1ccc2ncccc2c1)C(F)(F)F)c1cc(F)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.68
PGR P06401 8/20 0.53
NR3C2 P08235 10/20 0.46
AR P10275 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL5203512 0.88 NR3C1 (0.69) NR3C1PGRNR3C2
SCHEMBL4207284 0.82 NR3C1 (0.75) NR3C1PGRNR3C2
SCHEMBL14269098 0.81 NR3C1 (1.00) NR3C1PGRNR3C2
SCHEMBL3699419 0.78 NR3C1 (0.73) NR3C1PGRNR3C2
SCHEMBL1933453 0.78 NR3C1 (0.63) NR3C1PGRNR3C2
SCHEMBL5798637 0.78 NR3C1 (0.78) NR3C1PGRNR3C2
SCHEMBL4203191 0.78 NR3C1 (0.87) NR3C1PGRNR3C2
SCHEMBL1930963 0.76 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL4906857 0.75 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL291109 0.74 NR3C1 (0.78) NR3C1PGRNR3C2

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
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed