SCHEMBL7400925

SCHEMBL7400925

C=Cc1ccc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.59
KCNH2 Q12809 1/20 0.43

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
SCHEMBL7961320 0.89 PDE4A (0.59) PDE4AKCNH2
SCHEMBL7397686 0.85 PDE4A (0.61) PDE4AKCNH2
Ethane SCHEMBL7961090 0.82 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7959827 0.80 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7397571 0.79 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7392833 0.79 PDE4A (0.54) PDE4AKCNH2
SCHEMBL7959826 0.78 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7959823 0.77 PDE4A (0.53) PDE4AKCNH2
SCHEMBL7966861 0.77 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7960237 0.77 PDE4A (0.52) PDE4AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157007-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA INC. (CA) 2001-11-28 EP disclosed
US-6204275-B1 PDE IV inhibiting compounds, compositions and methods of treatment MERCK FROSST CANADA & CO. (CA) 2001-03-20 US disclosed
WO-2000050402-A1 PDE IV INHIBITING COMPOUNDS, COMPOSITIONS AND METHODS OF TREATMENT MERCK FROSST CANADA & CO. (CA) 2000-08-31 WO disclosed