SCHEMBL4020682

SCHEMBL4020682

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 1.00
NR1H3 Q13133 19/20 1.00

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
SCHEMBL4012657 0.91 NR1H2 (0.84) NR1H2NR1H3
SCHEMBL4018788 0.90 NR1H2 (0.83) NR1H2NR1H3
SCHEMBL4010657 0.90 NR1H2 (0.81) NR1H2NR1H3
SCHEMBL4013092 0.88 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4017443 0.88 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4017299 0.87 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4012075 0.86 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4012072 0.86 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL4012438 0.85 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4010991 0.84 NR1H2 (0.73) NR1H2NR1H3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP claimed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO claimed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed