SCHEMBL6589889

SCHEMBL6589889

COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1C#CCCCN1CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.67
PDE4B Q07343 15/20 0.67
PDE4C Q08493 15/20 0.67
PDE4D Q08499 15/20 0.67
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
SLC6A4 P31645 4/20 0.36
HRH3 Q9Y5N1 4/20 0.36

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
Hydrochloric Acid SCHEMBL6588375 0.99 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DEGFR
SCHEMBL6592467 0.90 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586660 0.80 PDE4D (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587924 0.79 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL6588016 0.76 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585375 0.74 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
SCHEMBL6586115 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL6587081 0.72 PDE4A (0.72) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL6588857 0.71 PDE4A (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6585373 0.69 PDE4A (0.63) PDE4APDE4BPDE4CPDE4D

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
EP-1097142-B1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON SPA (IT) 2004-10-13 EP claimed