SCHEMBL7376399

SCHEMBL7376399

COc1ccc(Cn2cnc(N)c3nc(C(C)(C)OCc4cccc(F)c4)nc2-3)cc1OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.49
PDE4B Q07343 19/20 0.49
PDE4C Q08493 19/20 0.49
PDE4D Q08499 19/20 0.49
DRD4 P21917 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7373829 0.93 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7379736 0.92 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7734270 0.92 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7738907 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7734205 0.92 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7206477 0.91 PDE4A (0.48) PDE4APDE4BPDE4CPDE4D
SCHEMBL7381288 0.89 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DDRD4
SCHEMBL7738942 0.89 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL7742229 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL7742150 0.88 PDE4A (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002541078-A 2002-12-03 JP claimed
EP-1169321-A4 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO CELTIQUE SA (LU) 2002-10-30 EP claimed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US claimed
EP-1169321-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY Euro-Celtique S.A. (LU) 2002-01-09 EP claimed
WO-2000059449-A2 PURINE DERIVATIVES HAVING PHOSPHODIESTERASE IV INHIBITION ACTIVITY EURO-CELTIQUE S.A. (LU) 2000-10-12 WO claimed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 US disclosed