SCHEMBL5201174

SCHEMBL5201174

COc1ccc(F)cc1C(C)(C)CC(O)(C=Nc1cccc2nc(OC(N)=O)ccc12)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.48
NR3C2 P08235 13/20 0.44
PGR P06401 6/20 0.43

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
SCHEMBL5203051 0.92 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL5202396 0.91 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL4817624 0.90 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4817619 0.90 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL4817615 0.90 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL5200940 0.90 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL5200833 0.89 NR3C1 (0.45) NR3C1NR3C2PGR
SCHEMBL5203059 0.87 NR3C1 (0.35) NR3C1NR3C2PGR
SCHEMBL4826531 0.87 NR3C1 (0.51) NR3C1NR3C2PGR
SCHEMBL4826530 0.87 NR3C1 (0.51) NR3C1NR3C2PGR

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