SCHEMBL7701694

SCHEMBL7701694

COc1ccc(N2Cc3ccc(CN4Cc5ccc(F)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.44
PDE4B Q07343 8/20 0.44
PDE4C Q08493 6/20 0.44
PDE4D Q08499 6/20 0.44
HTR2C P28335 5/20 0.44
HTR2A P28223 2/20 0.44
MCHR1 Q99705 2/20 0.41
HTR2B P41595 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ADAM17 P78536 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
SCHEMBL7692634 0.90 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7693683 0.90 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7700449 0.86 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7699545 0.84 HTR2C (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7693887 0.83 HTR2C (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7695513 0.83 HTR2C (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7700521 0.83 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7693264 0.83 HTR2C (0.49) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8708720 0.82 HTR2C (0.50) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8711342 0.82 HTR2C (0.50) 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