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SCHEMBL4162285

SCHEMBL4162285

CCCS(=O)(=O)c1ccc(-c2cccc(-c3nc4c(C(F)(F)F)cccc4cc3C)c2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 12/20 0.44
▸ NR1H3 Q13133 10/20 0.44
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ CYP2C19 P33261 3/20 0.40
▸ HSD11B1 P28845 1/20 0.36
▸ RORC P51449 2/20 0.36

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
SCHEMBL4166168 0.93 NR1H2 (0.48) NR1H2NR1H3RORC
SCHEMBL4167143 0.88 NR1H2 (0.47) NR1H2NR1H3CYP2C9
SCHEMBL4162283 0.81 NR1H2 (0.41) NR1H2NR1H3CYP1A2CYP3A4CYP2C9
SCHEMBL4165449 0.77 NR1H2 (0.44) NR1H2NR1H3
SCHEMBL4166161 0.74 NR1H2 (0.46) NR1H2NR1H3CYP1A2CYP3A4CYP2C9
SCHEMBL27765402 0.74 NR1H2 (0.40) NR1H2NR1H3HSD11B1RORC
SCHEMBL27786939 0.73 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL27765403 0.72 NR1H2 (0.40) NR1H2NR1H3CYP1A2CYP3A4CYP2C9
SCHEMBL4165443 0.70 NR1H2 (0.44) NR1H2NR1H3CYP1A2CYP3A4CYP2C9
SCHEMBL4164856 0.70 PDE10A (0.54) NR1H2NR1H3HSD11B1

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