SCHEMBL7697261

SCHEMBL7697261

COc1ccc(N2C(=O)c3cc(CN4C(=O)c5cnc(CO)cc5C4=O)ccc3C2C)cc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 13/20 0.39
PDE4B Q07343 11/20 0.39
PDE4C Q08493 9/20 0.39
PDE4D Q08499 9/20 0.39
RXFP1 Q9HBX9 4/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KMT2A Q03164 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
SCHEMBL7697385 0.89 PDE4B (0.38) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7700466 0.89 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7700903 0.89 PDE4B (0.40) PDE4APDE4BPDE4CPDE4D
SCHEMBL7698885 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7698199 0.88 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7700388 0.87 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL7698384 0.87 PDE4B (0.39) PDE4APDE4BPDE4CPDE4D
SCHEMBL7693762 0.85 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7691850 0.84 PDE4B (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7692927 0.78 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DHTR2C

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-2002081446-A1 3-CYCLOPENTYLOXY-4-METHOXYPHENYL-ISOINDOLINONE DERIVATIVES AND THE USE THEREOF DAEWOONG CO., LTD. (KR) 2002-10-17 WO disclosed