SCHEMBL6233865

SCHEMBL6233865

COc1ccc2c(c1CN1CN=CN1)C=NN(Cc1c(Cl)cncc1Cl)C2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.31
PDE4A P27815 2/20 0.30
PDE4B Q07343 2/20 0.30
PDE4C Q08493 2/20 0.30

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
SCHEMBL6233772 0.70 PDE4A (0.56) PDE4DPDE4APDE4BPDE4C
SCHEMBL6233764 0.58 PDE4A (0.55) PDE4DPDE4APDE4BPDE4C
SCHEMBL19415860 0.52 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL15753277 0.52 PDE4D (0.55) PDE4D
SCHEMBL1616464 0.51 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL14164833 0.51 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL30362076 0.51 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL15753781 0.51 PDE4D (0.53) PDE4DPDE4APDE4BPDE4C
SCHEMBL1009756 0.51 PDE4D (0.53) PDE4D
SCHEMBL15753276 0.50 PDE4D (0.52) PDE4D

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-1515708-A1 COMBINATIONS OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION Pfizer Products Inc. (US) 2005-03-23 EP disclosed
WO-2003105815-A1 COMBINATION OF PDE-V INHIBITORS AND NK1 ANTAGONISTS FOR THE TREATMENT OF DEPRESSION PFIZER PRODUCTS INC. (US) 2003-12-24 WO disclosed