SCHEMBL4016587

SCHEMBL4016587

CCS(=O)(=O)c1cc(F)cc(Oc2ccc(Cl)c(-c3cc(C)nc4c(Cl)cccc34)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 17/20 0.49
NR1H3 Q13133 17/20 0.49
NR4A2 P43354 3/20 0.37

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
SCHEMBL4013631 0.94 NR1H2 (0.46) NR1H2NR1H3NR4A2
SCHEMBL4013024 0.91 NR1H2 (0.56) NR1H2NR1H3
SCHEMBL4011445 0.91 NR1H2 (0.59) NR1H2NR1H3NR4A2
SCHEMBL4012832 0.89 NR1H2 (0.57) NR1H2NR1H3NR4A2
SCHEMBL4011035 0.89 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL4011423 0.85 NR1H2 (0.52) NR1H2NR1H3NR4A2
SCHEMBL4012431 0.84 NR1H2 (0.56) NR1H2NR1H3NR4A2
SCHEMBL4011519 0.82 NR1H2 (0.57) NR1H2NR1H3
SCHEMBL4018710 0.82 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL3505910 0.81 NR1H2 (0.45) 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 4 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
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed