SCHEMBL7700756

SCHEMBL7700756

COc1ccc(N2Cc3ccc(CN4C(=O)c5ccncc5C4=O)cc3C2=O)cc1OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PDE4D Q08499 10/20 0.44
PDE4B Q07343 9/20 0.44
PDE4A P27815 8/20 0.44
PDE4C Q08493 7/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2C P28335 4/20 0.42
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL7693264 0.90 HTR2C (0.49) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL7700449 0.88 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL8714617 0.84 HTR2C (0.47) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL7698109 0.83 PDE4D (0.46) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL8713389 0.82 HTR2C (0.47) PDE4DPDE4BPDE4APDE4CHTR2C
Hydrochloric Acid SCHEMBL8710356 0.81 HTR2C (0.46) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL7695513 0.81 HTR2C (0.49) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL7693887 0.81 HTR2C (0.49) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL7698722 0.80 PDE4B (0.41) PDE4DPDE4BPDE4APDE4CHTR2C
SCHEMBL8708720 0.80 HTR2C (0.50) PDE4DPDE4BPDE4APDE4CHTR2C

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