SCHEMBL1125347

SCHEMBL1125347

NC(c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.64
NR1H3 Q13133 20/20 0.64
PPARG P37231 3/20 0.64
PPARD Q03181 2/20 0.64
PPARA Q07869 2/20 0.64
RXRA P19793 1/20 0.57

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
SCHEMBL1125337 0.89 NR1H2 (0.63) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125417 0.87 NR1H2 (0.61) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125432 0.86 NR1H2 (0.62) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6025533 0.84 NR1H2 (0.60) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125439 0.83 NR1H2 (0.57) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL6369342 0.83 NR1H2 (0.60) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125684 0.82 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125426 0.82 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL1125126 0.81 NR1H2 (0.56) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL16557135 0.81 NR1H2 (0.80) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed