SCHEMBL7695166

SCHEMBL7695166

COc1ccc(N2C(=O)c3ccncc3C2C)cc1OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.45
PDE4A P27815 11/20 0.45
PDE4B Q07343 10/20 0.45
PDE4C Q08493 8/20 0.45
CYP3A4 P08684 2/20 0.42
VEGFA P15692 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CREBBP Q92793 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE5A O76074 1/20 0.42
TNF P01375 1/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42

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
SCHEMBL8711411 0.99 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CCYP3A4
SCHEMBL8711347 0.90 PDE4D (0.40) PDE4DPDE4APDE4BPDE4C
SCHEMBL8712435 0.87 PDE4B (0.42) PDE4DPDE4APDE4BPDE4CCYP3A4
Hydrochloric Acid SCHEMBL8707877 0.87 PDE4A (0.44) PDE4DPDE4APDE4BPDE4CS1PR1
SCHEMBL8712205 0.86 HTR2C (0.42) PDE4DPDE4APDE4BPDE4CLMNA
SCHEMBL7696958 0.85 PDE4B (0.49) PDE4DPDE4APDE4BPDE4C
SCHEMBL7698977 0.84 PDE4B (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL8709437 0.82 PDE4A (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL7692927 0.81 PDE4B (0.44) PDE4DPDE4APDE4BPDE4C
SCHEMBL7698605 0.81 PDE4B (0.42) 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 2 patents. 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
WO-1998042666-A1 NOVEL 3,4-DIALKOXYPHENYL DERIVATIVES AND THE USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1998-10-01 WO disclosed