SCHEMBL7698676

SCHEMBL7698676

COc1ccc(N2C(=O)c3ccncc3C2C)cc1OC(C)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL7692903 0.89 NR1H3 (0.45) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7699466 0.85 PDE4A (0.40) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7699505 0.83 NR1H3 (0.49) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL7694958 0.81 NR1H3 (0.44) PDE4APDE4BPDE4CPDE4DNR1H2
SCHEMBL8708142 0.81 RAB9A (0.51) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8711302 0.80 HTR2C (0.44) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8708036 0.80 QPCT (0.48) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8707222 0.79 MCHR1 (0.45) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL8712042 0.79 NR1H3 (0.42) PDE4APDE4BPDE4CPDE4DNR1H2
SCHEMBL7703112 0.77 NR1H2 (0.38) PDE4APDE4BPDE4CPDE4DNR1H2

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