SCHEMBL9378017

SCHEMBL9378017

COc1ccc(-c2ccnc3ccnn23)cc1OC1CC2CCC1C2

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 16/20 0.54
PDE4A P27815 6/20 0.54
PDE4B Q07343 6/20 0.54
PDE4C Q08493 6/20 0.54
CFTR P13569 2/20 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
SCHEMBL7366534 0.83 PDE4D (0.40) PDE4DCFTR
SCHEMBL7364772 0.81 PDE4D (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL26848367 0.80 FYN (0.52) CFTR
SCHEMBL7368338 0.72 PDE4B (0.71) PDE4DPDE4APDE4BPDE4C
SCHEMBL7396818 0.72 PDE4B (0.62) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359192 0.71 PDE4B (0.64) PDE4DPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL7363927 0.71 PDE4B (0.58) PDE4DPDE4APDE4BPDE4C
SCHEMBL31579186 0.70 TUBB4A (0.49)
SCHEMBL7360400 0.69 PDE4B (0.67) PDE4DPDE4APDE4BPDE4C
SCHEMBL7359776 0.69 PDE4B (0.59) PDE4DPDE4APDE4BPDE4C

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-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed