SCHEMBL7698199

SCHEMBL7698199

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.42
PDE4A P27815 14/20 0.42
PDE4C Q08493 12/20 0.42
PDE4D Q08499 12/20 0.42
RXFP1 Q9HBX9 3/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7698885 0.92 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DRXFP1
SCHEMBL7700388 0.91 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DRXFP1
SCHEMBL7700466 0.89 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DRXFP1
SCHEMBL7697261 0.88 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DRXFP1
SCHEMBL7697385 0.88 PDE4B (0.38) PDE4BPDE4APDE4CPDE4DRXFP1
SCHEMBL7697107 0.88 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL7698384 0.87 PDE4B (0.39) PDE4BPDE4APDE4CPDE4D
SCHEMBL7700903 0.84 PDE4B (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL7693762 0.84 PDE4A (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL7691850 0.80 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D

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