SCHEMBL7899107

SCHEMBL7899107

CC(=O)N(Cc1ccccc1)c1ccc(C(Cc2ccncc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.61
KCNH2 Q12809 1/20 0.47

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
SCHEMBL7908344 0.90 PDE4A (0.57) PDE4AKCNH2
SCHEMBL7907943 0.89 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7907832 0.87 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7899116 0.86 PDE4A (0.70) PDE4A
SCHEMBL7907849 0.84 PDE4A (0.61) PDE4AKCNH2
SCHEMBL7905253 0.82 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7906802 0.81 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7899113 0.80 PDE4A (0.79) PDE4AKCNH2
SCHEMBL7899087 0.80 PDE4A (0.79) PDE4AKCNH2
SCHEMBL7906674 0.80 PDE4A (0.53) 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