SCHEMBL7908342

SCHEMBL7908342

CN(Cc1cccnc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.85
KCNH2 Q12809 2/20 0.60

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
SCHEMBL7899114 0.92 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7472515 0.87 PDE4A (0.82) PDE4AKCNH2
SCHEMBL7383138 0.86 PDE4A (0.85) PDE4AKCNH2
SCHEMBL7906824 0.86 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7906548 0.85 PDE4A (0.84) PDE4AKCNH2
SCHEMBL7374481 0.85 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7911671 0.84 PDE4A (0.90) PDE4AKCNH2
SCHEMBL7907832 0.84 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7388937 0.83 PDE4A (0.83) PDE4AKCNH2
SCHEMBL7380725 0.83 PDE4A (0.83) 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-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed