SCHEMBL7381127

SCHEMBL7381127

[O-][n+]1ccc(CC(c2ccc(NCc3ccc(F)cc3F)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.75
KCNH2 Q12809 1/20 0.58

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
SCHEMBL7906655 0.86 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7906685 0.84 PDE4A (0.85) PDE4AKCNH2
SCHEMBL7905275 0.83 PDE4A (0.76) PDE4AKCNH2
SCHEMBL7899145 0.83 PDE4A (0.72) PDE4AKCNH2
SCHEMBL7388939 0.82 PDE4A (0.82) PDE4A
SCHEMBL7911666 0.82 PDE4A (0.82) PDE4AKCNH2
SCHEMBL7899075 0.82 PDE4A (0.88) PDE4AKCNH2
SCHEMBL7905326 0.82 PDE4A (0.71) PDE4AKCNH2
SCHEMBL7377056 0.81 PDE4A (0.85) PDE4AKCNH2
SCHEMBL7907859 0.80 PDE4A (0.77) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US claimed
EP-1177175-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-02-06 EP disclosed
US-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed
WO-2000068198-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-16 WO disclosed