SCHEMBL4729003

SCHEMBL4729003

FC(F)(F)c1cccc(-c2ncnc3ccc(OCCc4ccc5ccccc5n4)cc23)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.41
GPBAR1 Q8TDU6 3/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
PDE10A Q9Y233 4/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
EGFR P00533 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 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
SCHEMBL4727365 0.87 PIK3CD (0.51) CYSLTR1GPBAR1CYSLTR2PDE10APIK3CD
SCHEMBL4727531 0.84 EGFR (0.46) PDE10APIK3CDPIK3CAPIK3CBMTOR
SCHEMBL4730048 0.82 PDE10A (0.44) CYSLTR1GPBAR1CYSLTR2PDE10APIK3CD
SCHEMBL4727502 0.82 PDE10A (0.43) CYSLTR1GPBAR1CYSLTR2PDE10APIK3CD
SCHEMBL4725187 0.79 GPBAR1 (0.47) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL4725552 0.78 POLB (0.47) EGFR
SCHEMBL4725039 0.76 CYSLTR1 (0.57) CYSLTR1GPBAR1CYSLTR2PDE10APIK3CD
SCHEMBL4725058 0.74 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2PDE10APIK3CD
SCHEMBL4780024 0.72 CYSLTR1 (0.51) CYSLTR1GPBAR1CYSLTR2PDE10AMTOR
SCHEMBL4725523 0.72 PDE10A (0.56) CYSLTR1CYSLTR2PDE10A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020302-A2 HETEROAROMATIC QUINOLINE-BASED COMPOUNDS AS PHOSPHODIESTERASE (PDE) INHIBITORS PFIZER PRODUCTS INC. (US) 2008-02-21 WO claimed