SCHEMBL4727792

SCHEMBL4727792

COc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCCc1ccc2ccccc2n1

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 7/20 0.73
PDE10A Q9Y233 9/20 0.52
PDE3B Q13370 5/20 0.50
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TLR7 Q9NYK1 1/20 0.47

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
SCHEMBL4725590 0.96 PDE3A (0.75) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL4725096 0.92 PDE3A (0.77) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL4728652 0.88 PDE3A (0.77) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL5242098 0.85 PDE3A (1.00) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL5243398 0.85 PDE3A (1.00) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL4727752 0.85 PDE3A (0.71) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL4725226 0.84 PDE3A (0.78) PDE3APDE10APDE3BHTR1AHTR7
SCHEMBL4725230 0.83 ACHE (0.55) PDE3APDE10A
SCHEMBL4725054 0.83 ACHE (0.55) PDE3APDE10A
SCHEMBL4727225 0.83 PDE3A (0.70) PDE3APDE10APDE3BHTR1AHTR7

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