SCHEMBL5203512

SCHEMBL5203512

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2ncccc2c1)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.69
PGR P06401 7/20 0.69
NR3C2 P08235 13/20 0.61

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
SCHEMBL5203394 0.88 NR3C1 (0.68) NR3C1PGRNR3C2
SCHEMBL4197570 0.83 NR3C1 (0.76) NR3C1PGRNR3C2
SCHEMBL4195130 0.82 NR3C1 (1.00) NR3C1PGRNR3C2
SCHEMBL3693045 0.80 NR3C1 (0.66) NR3C1PGRNR3C2
SCHEMBL5779187 0.80 NR3C1 (0.58) NR3C1PGRNR3C2
SCHEMBL4208932 0.79 NR3C1 (0.88) NR3C1PGRNR3C2
SCHEMBL5780295 0.79 NR3C1 (0.79) NR3C1PGRNR3C2
SCHEMBL291694 0.76 NR3C1 (1.00) NR3C1PGRNR3C2
SCHEMBL5822764 0.76 NR3C1 (0.68) NR3C1PGRNR3C2
SCHEMBL1634863 0.76 NR3C1 (0.70) 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