SCHEMBL4012075

SCHEMBL4012075

CNC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 1.00
NR1H3 Q13133 19/20 0.82

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
SCHEMBL4017299 0.91 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4018788 0.90 NR1H2 (0.83) NR1H2NR1H3
SCHEMBL4013092 0.90 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4017443 0.89 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4012438 0.86 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4020682 0.86 NR1H2 (1.00) NR1H2NR1H3
SCHEMBL4012491 0.85 NR1H2 (0.80) NR1H2NR1H3
SCHEMBL4013862 0.84 NR1H3 (1.00) NR1H2NR1H3
SCHEMBL4016904 0.83 NR1H2 (0.84) NR1H2NR1H3
SCHEMBL4013677 0.83 NR1H2 (0.80) 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