SCHEMBL4727752

SCHEMBL4727752

COc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCCc1nc2ccccc2n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.71
PDE10A Q9Y233 5/20 0.51
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
AURKA O14965 2/20 0.46
KIT P10721 3/20 0.46
PDE3B Q13370 1/20 0.46
PRKDC P78527 1/20 0.46

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
SCHEMBL4727792 0.85 PDE3A (0.73) PDE3APDE10ATLR9TLR7HTR1A
SCHEMBL5242098 0.84 PDE3A (1.00) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4728652 0.83 PDE3A (0.77) PDE3APDE10ATLR9TLR7HTR1A
SCHEMBL5243398 0.83 PDE3A (1.00) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4725590 0.82 PDE3A (0.75) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4725226 0.81 PDE3A (0.78) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4725096 0.80 PDE3A (0.77) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4729633 0.77 EGFR (0.51) PDE10A
SCHEMBL4727937 0.77 PDE3A (0.85) PDE3APDE10AHTR1AHTR7PDE3B
SCHEMBL4727225 0.76 PDE3A (0.70) PDE3APDE10AHTR1AHTR7KIT

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