SCHEMBL4012845

SCHEMBL4012845

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2cccc(Oc3cccc(-c4c(C)cnc5c(C(F)(F)F)cccc45)c3)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.69
NR1H3 Q13133 19/20 0.69

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
SCHEMBL4012177 0.95 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL4013084 0.94 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL4014176 0.89 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL4013051 0.85 NR1H2 (0.67) NR1H2NR1H3
SCHEMBL4011729 0.83 NR1H3 (0.78) NR1H2NR1H3
SCHEMBL4012454 0.82 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL4013862 0.82 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL4014660 0.81 NR1H3 (0.70) NR1H2NR1H3
SCHEMBL4013583 0.81 NR1H2 (0.73) NR1H2NR1H3
SCHEMBL4015610 0.81 NR1H3 (0.83) 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 5 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
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed