SCHEMBL7907997

SCHEMBL7907997

Nc1ccc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.74
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
SCHEMBL7908346 0.86 PDE4A (0.67) PDE4AKCNH2
SCHEMBL6887748 0.85 PDE4A (0.77) PDE4A
SCHEMBL6887744 0.85 PDE4A (0.77) PDE4A
SCHEMBL7906788 0.85 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7379831 0.83 PDE4A (0.58) PDE4AKCNH2
SCHEMBL7906783 0.80 PDE4A (0.78) PDE4A
SCHEMBL7899116 0.80 PDE4A (0.70) PDE4A
SCHEMBL7991197 0.79 PDE4A (0.58) PDE4AKCNH2
SCHEMBL7907832 0.79 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7905253 0.79 PDE4A (0.78) 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