SCHEMBL7696958

SCHEMBL7696958

COc1ccc(N2C(=O)c3ccccc3C2C)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.49
PDE4A P27815 14/20 0.49
PDE4C Q08493 12/20 0.49
PDE4D Q08499 12/20 0.49
QPCT Q16769 1/20 0.46
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL8709797 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL8710631 0.89 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL8713095 0.88 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL7694104 0.88 RAB9A (0.58) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL8710488 0.87 PDE4B (0.50) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL8713912 0.87 RAB9A (0.57) PDE4BPDE4APDE4CPDE4DQPCT
SCHEMBL8707072 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL7696868 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL8711866 0.85 HTR2C (0.53) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8709437 0.85 PDE4A (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 2 patents. 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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed