SCHEMBL4014539

SCHEMBL4014539

O=S(=O)(c1cccc(Oc2cccc(-c3c(-c4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.59
NR1H3 Q13133 19/20 0.59

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
SCHEMBL4016983 0.88 NR1H2 (0.74) NR1H2NR1H3
SCHEMBL4012041 0.84 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL4013518 0.84 NR1H2 (0.79) NR1H2NR1H3
SCHEMBL4014381 0.83 NR1H2 (0.70) NR1H2NR1H3
SCHEMBL4012233 0.81 NR1H2 (0.78) NR1H2NR1H3
SCHEMBL4010402 0.80 NR1H2 (0.77) NR1H2NR1H3
SCHEMBL4010721 0.79 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL4011589 0.79 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL4019139 0.79 NR1H2 (0.72) NR1H2NR1H3
SCHEMBL4256878 0.75 NR1H2 (0.77) 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 2 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