SCHEMBL4010816

SCHEMBL4010816

Cc1cnc2c(Cl)cccc2c1-c1cccc(Oc2cccc(C(=O)NCCCCCO)c2)c1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.81
NR1H3 Q13133 19/20 0.81
PPARG P37231 1/20 0.49

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
SCHEMBL1125503 0.90 NR1H2 (1.00) NR1H2NR1H3PPARG
SCHEMBL1125536 0.88 NR1H2 (1.00) NR1H2NR1H3PPARG
SCHEMBL4018319 0.85 NR1H2 (0.75) NR1H2NR1H3PPARG
SCHEMBL1126164 0.85 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1125473 0.83 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL1125497 0.82 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4012274 0.81 NR1H2 (0.82) NR1H2NR1H3
SCHEMBL4010810 0.80 NR1H2 (0.77) NR1H2NR1H3PPARG
SCHEMBL1125753 0.79 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL1125468 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 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