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SCHEMBL7697143

SCHEMBL7697143

COc1ccc(N2Cc3ccc(CN4Cc5cnc(C(=O)NN)cc5C4=O)cc3C2=O)cc1OC1CCCC1.COc1ccc(N2Cc3ccc(CN4Cc5cnc(NCC(N)=O)cc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 13/20 0.38
▸ PDE4B Q07343 13/20 0.38
▸ PDE4C Q08493 13/20 0.38
▸ PDE4D Q08499 13/20 0.38
▸ HTR2C P28335 6/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2B P41595 1/20 0.35
▸ TPH1 P17752 1/20 0.33

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
SCHEMBL7700521 0.85 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7699545 0.81 HTR2C (0.42) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7692634 0.79 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7700449 0.78 PDE4D (0.43) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7693683 0.78 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7698722 0.78 PDE4B (0.41) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7701694 0.77 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8711406 0.76 HTR2C (0.47) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL7700387 0.76 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DHTR2C
SCHEMBL8711442 0.76 HTR2C (0.48) 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