SCHEMBL7149898

SCHEMBL7149898

COc1ccc(C2=NN(C3CCN(C(=O)CCCN)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 18/20 0.75
PDE4B Q07343 12/20 0.67
PDE4A P27815 11/20 0.67
PDE4C Q08493 11/20 0.67
PDE7B Q9NP56 1/20 0.60

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
Trifluoroacetic Acid SCHEMBL6485978 0.94 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6031073 0.92 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6031062 0.90 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CPDE7B
Hydrochloric Acid SCHEMBL6030901 0.90 PDE4D (0.68) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5553386 0.89 PDE4D (0.78) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6489222 0.88 PDE4D (0.70) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL6033600 0.86 PDE4D (0.75) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL14249748 0.86 PDE4D (0.71) PDE4DPDE4BPDE4APDE4C
SCHEMBL6479899 0.86 PDE4D (0.74) PDE4DPDE4BPDE4APDE4CPDE7B
SCHEMBL5553461 0.85 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO disclosed