SCHEMBL8710758

SCHEMBL8710758

C=C1c2ccc(N)cc2C(=O)N1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.44
PDE4A P27815 13/20 0.44
PDE4C Q08493 10/20 0.44
PDE4D Q08499 10/20 0.44
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8707864 0.87 PDE4B (0.53) PDE4BPDE4APDE4CPDE4D
SCHEMBL8710983 0.86 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8712873 0.86 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL8707100 0.85 PDE4B (0.42) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8707496 0.81 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL8711449 0.78 HTR2C (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL7688170 0.78 PDE4B (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL8708786 0.77 PDE4D (0.43) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL8713399 0.77 PDE4B (0.56) PDE4BPDE4APDE4CPDE4D
SCHEMBL8707072 0.77 PDE4B (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed