SCHEMBL7698605

SCHEMBL7698605

COc1ccc(N2C(=O)c3cc(C(=O)N4C(=O)c5ccccc5C4=O)ccc3C2C)cc1OC1CCCC1.COc1ccc(N2C(=O)c3cc(C(=O)N4C(=O)c5ccncc5C4=O)ccc3C2C)cc1OC1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.42
PDE4D Q08499 16/20 0.42
PDE4A P27815 14/20 0.42
PDE4C Q08493 14/20 0.42

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
SCHEMBL7698977 0.85 PDE4B (0.42) PDE4BPDE4DPDE4APDE4C
SCHEMBL7699466 0.81 PDE4A (0.40) PDE4BPDE4DPDE4APDE4C
SCHEMBL7688307 0.81 PDE4B (0.53) PDE4BPDE4DPDE4APDE4C
SCHEMBL7695166 0.81 PDE4D (0.45) PDE4BPDE4DPDE4APDE4C
SCHEMBL8711411 0.80 PDE4D (0.44) PDE4BPDE4DPDE4APDE4C
SCHEMBL7696958 0.79 PDE4B (0.49) PDE4BPDE4DPDE4APDE4C
SCHEMBL7696868 0.76 PDE4B (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL7694638 0.76 PDE4B (0.52) PDE4BPDE4DPDE4APDE4C
SCHEMBL7693762 0.75 PDE4A (0.46) PDE4BPDE4DPDE4APDE4C
SCHEMBL7694019 0.75 PDE4A (0.48) PDE4BPDE4DPDE4APDE4C

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