SCHEMBL7698722

SCHEMBL7698722

COc1ccc(N2Cc3ccc(CN4C(=O)c5ccc(NCC(N)=O)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.41
PDE4A P27815 10/20 0.41
PDE4C Q08493 10/20 0.41
PDE4D Q08499 10/20 0.41
HTR2C P28335 4/20 0.40
HTR2A P28223 2/20 0.40
POLB P06746 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL8711406 0.91 HTR2C (0.47) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8711442 0.90 HTR2C (0.48) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL7693264 0.85 HTR2C (0.49) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8712165 0.83 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8713066 0.83 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8711413 0.82 HTR2C (0.50) HTR2CHTR2APOLBHTR2B
SCHEMBL8708944 0.82 HTR2C (0.45) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL7700756 0.80 LMNA (0.47) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL8710723 0.79 HTR2C (0.47) PDE4BPDE4APDE4CPDE4DHTR2C
SCHEMBL7693887 0.79 HTR2C (0.49) PDE4BPDE4APDE4CPDE4DHTR2C

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