SCHEMBL7385442

SCHEMBL7385442

CC(C)(Cc1ccccc1)Oc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.67
KCNH2 Q12809 2/20 0.67

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
SCHEMBL7991081 0.88 PDE4A (0.55) PDE4AKCNH2
SCHEMBL7976960 0.85 PDE4A (0.74) PDE4AKCNH2
SCHEMBL7977050 0.85 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7991153 0.84 PDE4A (0.72) PDE4AKCNH2
SCHEMBL7376251 0.81 PDE4A (0.67) PDE4AKCNH2
SCHEMBL7383406 0.81 PDE4A (0.65) PDE4AKCNH2
SCHEMBL7376254 0.80 PDE4A (0.66) PDE4AKCNH2
SCHEMBL7905267 0.80 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7380926 0.80 PDE4A (0.76) PDE4AKCNH2
SCHEMBL7899052 0.80 PDE4A (1.00) 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-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US claimed
EP-1180100-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS Merck Frosst Canada & Co. (CA) 2002-02-20 EP disclosed
US-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed
WO-2000064874-A2 HETEROSUBSTITUTED PYRIDINE DERIVATIVES AS PDE 4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2000-11-02 WO disclosed