Sugi Predict

Sugi Predict / Compounds / SCHEMBL6190840

SCHEMBL6190840

SCHEMBL6190840

COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C(F)(F)F)ccc12)C(F)(F)F.FC(F)(F)c1ccc2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 19/20 0.76
▸ PGR P06401 6/20 0.70
▸ NR3C2 P08235 10/20 0.54

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
SCHEMBL3650883 0.96 NR3C1 (0.82) NR3C1PGRNR3C2
SCHEMBL3651686 0.87 NR3C1 (0.84) NR3C1PGRNR3C2
SCHEMBL3642450 0.87 NR3C1 (0.84) NR3C1PGRNR3C2
SCHEMBL3651593 0.87 NR3C1 (1.00) NR3C1PGRNR3C2
SCHEMBL3652420 0.86 NR3C1 (0.82) NR3C1PGRNR3C2
SCHEMBL4827164 0.86 NR3C1 (0.82) NR3C1PGRNR3C2
SCHEMBL4823363 0.86 NR3C1 (0.82) NR3C1PGRNR3C2
SCHEMBL4827055 0.86 NR3C1 (0.82) NR3C1PGRNR3C2
SCHEMBL3652499 0.85 NR3C1 (0.81) NR3C1PGRNR3C2
SCHEMBL4825644 0.84 NR3C1 (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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