SCHEMBL7329796

SCHEMBL7329796

COc1ccc(C2CC(=O)N(C(=O)O)N2C)cc1OC1CCCC1.NCCCN1CCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.45
PDE4B Q07343 15/20 0.44
PDE4C Q08493 5/20 0.43
PDE4D Q08499 5/20 0.43
ALDH1A1 P00352 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
SCHEMBL5964136 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7329788 0.85 ALDH1A1 (0.50) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7336085 0.83 PDE4A (0.43) PDE4APDE4BPDE4CPDE4D
SCHEMBL7396364 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7327462 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7333917 0.81 PDE4B (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL7292161 0.81 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7294704 0.79 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
Hydrochloric Acid SCHEMBL7290286 0.78 PDE4B (0.59) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7290554 0.78 PDE4B (0.62) 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
US-5250700-A Phosphodiesterase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed