SCHEMBL4012902

SCHEMBL4012902

CC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2ccccc2S(C)(=O)=O)c1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 18/20 0.80
NR1H2 P55055 19/20 0.64

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
SCHEMBL4015489 0.89 NR1H3 (1.00) NR1H3NR1H2
SCHEMBL4013411 0.86 NR1H2 (0.80) NR1H3NR1H2
SCHEMBL4011467 0.85 NR1H2 (0.79) NR1H3NR1H2
SCHEMBL35305 0.84 NR1H3 (0.60) NR1H3NR1H2
SCHEMBL4013117 0.82 NR1H2 (0.80) NR1H3NR1H2
SCHEMBL4012166 0.82 NR1H2 (0.80) NR1H3NR1H2
SCHEMBL4017876 0.81 NR1H2 (0.82) NR1H3NR1H2
SCHEMBL3508262 0.81 NR1H3 (0.70) NR1H3NR1H2
SCHEMBL4010866 0.80 NR1H2 (0.79) NR1H3NR1H2
SCHEMBL4012188 0.80 NR1H2 (0.63) NR1H3NR1H2

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