SCHEMBL7977050

SCHEMBL7977050

CC(C)(Oc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.66
KCNH2 Q12809 3/20 0.66

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
SCHEMBL7383406 0.89 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7977119 0.89 PDE4A (0.54) PDE4AKCNH2
SCHEMBL7376251 0.86 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7385442 0.85 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7376254 0.85 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7380926 0.85 PDE4A (0.76) PDE4AKCNH2
SCHEMBL7382646 0.84 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7905326 0.82 PDE4A (0.71) PDE4AKCNH2
SCHEMBL7952889 0.82 PDE4A (0.63) PDE4AKCNH2
SCHEMBL7899118 0.82 PDE4A (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US claimed
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed