SCHEMBL4016611

SCHEMBL4016611

CN(C)S(=O)(=O)c1cccc(-c2cccc(-c3c(C(N)=O)cnc4c(C(F)(F)F)cccc34)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.67
NR1H3 Q13133 18/20 0.67

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
SCHEMBL4013271 0.91 NR1H2 (0.82) NR1H2NR1H3
SCHEMBL4018692 0.90 NR1H2 (0.69) NR1H2NR1H3
SCHEMBL4013296 0.90 NR1H2 (0.81) NR1H2NR1H3
SCHEMBL4012342 0.88 NR1H2 (0.81) NR1H2NR1H3
SCHEMBL1125331 0.81 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL1124977 0.81 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL4010757 0.81 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL4017443 0.80 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4018705 0.79 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL4013504 0.79 NR1H2 (1.00) 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