SCHEMBL7951554

SCHEMBL7951554

O=C(c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)nc1)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.63
KCNH2 Q12809 2/20 0.53

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
SCHEMBL7394880 0.92 PDE4A (0.73) PDE4AKCNH2
SCHEMBL7962295 0.89 PDE4A (0.50) PDE4AKCNH2
SCHEMBL7399611 0.87 PDE4A (0.63) PDE4AKCNH2
SCHEMBL7389366 0.85 PDE4A (0.62) PDE4AKCNH2
SCHEMBL7394881 0.84 PDE4A (0.62) PDE4AKCNH2
SCHEMBL7963639 0.84 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7397571 0.81 PDE4A (0.56) PDE4AKCNH2
SCHEMBL7395061 0.78 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7398318 0.77 PDE4A (0.68) PDE4AKCNH2
SCHEMBL7951481 0.76 PDE4A (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6204275-B1 PDE IV inhibiting compounds, compositions and methods of treatment MERCK FROSST CANADA & CO. (CA) 2001-03-20 US disclosed