SCHEMBL5201950

SCHEMBL5201950

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccc(OC(N)=O)nc12)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.60
PGR P06401 8/20 0.59
NR3C2 P08235 12/20 0.50

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
SCHEMBL4822188 0.89 NR3C1 (0.61) NR3C1PGRNR3C2
SCHEMBL5202660 0.89 NR3C1 (0.75) NR3C1PGRNR3C2
SCHEMBL4197570 0.84 NR3C1 (0.76) NR3C1PGRNR3C2
SCHEMBL4826216 0.83 NR3C1 (0.62) NR3C1PGRNR3C2
SCHEMBL5236963 0.81 NR3C1 (0.76) NR3C1PGRNR3C2
SCHEMBL5201148 0.80 NR3C1 (0.74) NR3C1PGRNR3C2
SCHEMBL4477473 0.80 NR3C1 (0.62) NR3C1PGRNR3C2
SCHEMBL5200833 0.79 NR3C1 (0.45) NR3C1PGRNR3C2
SCHEMBL3651686 0.79 NR3C1 (0.84) NR3C1PGRNR3C2
SCHEMBL3644333 0.79 NR3C1 (0.77) 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 3 patents. 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
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed