SCHEMBL8708786

SCHEMBL8708786

C=C1c2cccnc2C(=O)N1c1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.43
PDE4A P27815 12/20 0.43
PDE4B Q07343 11/20 0.43
PDE4C Q08493 11/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
VEGFA P15692 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CREBBP Q92793 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
SCHEMBL8707002 0.88 L3MBTL1 (0.41) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL8714452 0.88 L3MBTL1 (0.50) L3MBTL1RXFP1ALDH1A1LMNACYP2C9
SCHEMBL8710571 0.88 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL8707864 0.85 PDE4B (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL8712873 0.84 PDE4B (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL8707496 0.83 PDE4B (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL8707973 0.81 L3MBTL1 (0.41) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL8710983 0.80 PDE4B (0.46) PDE4DPDE4APDE4BPDE4CVEGFA
SCHEMBL7688170 0.79 PDE4B (0.57) PDE4DPDE4APDE4BPDE4C
SCHEMBL8713399 0.78 PDE4B (0.56) PDE4DPDE4APDE4BPDE4C

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