SCHEMBL5202057

SCHEMBL5202057

CC(C)(CC(O)(CNc1cccc2nc(OC(N)=O)ccc12)C(F)(F)F)c1cc(F)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.73
PGR P06401 10/20 0.55
NR3C2 P08235 9/20 0.42
AR P10275 1/20 0.38
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5202660 0.90 NR3C1 (0.75) NR3C1PGRNR3C2
SCHEMBL3647702 0.89 NR3C1 (0.79) NR3C1PGRNR3C2
SCHEMBL5202457 0.89 NR3C1 (0.69) NR3C1PGRNR3C2
SCHEMBL4824698 0.87 NR3C1 (0.76) NR3C1PGRNR3C2AR
SCHEMBL3650970 0.87 NR3C1 (0.76) NR3C1PGRNR3C2ARCYP3A4
SCHEMBL4822471 0.85 NR3C1 (0.81) NR3C1PGRNR3C2ARCYP3A4
SCHEMBL4826339 0.85 NR3C1 (0.84) NR3C1PGRNR3C2AR
SCHEMBL3650510 0.84 NR3C1 (1.00) NR3C1PGRNR3C2AR
SCHEMBL3650890 0.84 NR3C1 (0.81) NR3C1PGRNR3C2AR
SCHEMBL3651746 0.84 NR3C1 (0.81) NR3C1PGRNR3C2AR

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