SCHEMBL7377329

SCHEMBL7377329

COc1ccc(Cn2cncc3nc(C(C)(C)O)nc2-3)cc1OC1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.45
PDE4B Q07343 19/20 0.45
PDE4C Q08493 19/20 0.45
PDE4D Q08499 19/20 0.45
QPCT Q16769 1/20 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
SCHEMBL7379692 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL7209631 0.83 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7208576 0.82 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7740531 0.81 PDE4A (0.35) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7205772 0.80 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL7241642 0.75 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DQPCT
SCHEMBL6672386 0.73 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL7205215 0.73 PDE4A (0.57) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7210441 0.72 PDE4A (0.59) PDE4APDE4BPDE4CPDE4D
SCHEMBL7212615 0.71 PDE4A (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP disclosed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP disclosed
US-6319928-B1 ASTHMA, ALLERGIES, INFLAMMATION,DEPRESSION, DEMENTIA, ALZHEIMER'S DISEASE, VASCULAR AND MULTI-IN-FARCT DEMENTIA AND DISEASE CAUSED BY HUMAN IMMUNODEFICIENCY VIRUS TREATMENT; EFFICIENCY AND SELECTIVITY EURO-CELTIQUE, S.A. (LU) 2001-11-20 US disclosed
US-6294541-B1 ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES EURO-CELTIQUE S.A. (LU) 2001-09-25 US disclosed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO disclosed