SCHEMBL4013845

SCHEMBL4013845

O=C(NCCO)c1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.75
NR1H3 Q13133 20/20 0.75
PPARG P37231 4/20 0.75
PPARD Q03181 2/20 0.61
PPARA Q07869 2/20 0.61

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
SCHEMBL4013343 0.89 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4017961 0.88 NR1H2 (0.85) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4018905 0.87 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4017175 0.86 NR1H2 (0.66) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125381 0.86 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4010876 0.85 NR1H2 (0.86) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4260466 0.85 NR1H2 (0.71) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL4256393 0.84 NR1H2 (0.84) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1124869 0.82 NR1H2 (0.83) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125836 0.80 NR1H2 (1.00) NR1H2NR1H3PPARGPPARDPPARA

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 disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed