SCHEMBL7899052

SCHEMBL7899052

CC(C)(C)N(Cc1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 1.00
KCNH2 Q12809 2/20 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
SCHEMBL7899114 0.89 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7911671 0.88 PDE4A (0.90) PDE4AKCNH2
SCHEMBL7380725 0.88 PDE4A (0.83) PDE4AKCNH2
SCHEMBL7906652 0.87 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7906644 0.87 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7906864 0.85 PDE4A (0.87) PDE4AKCNH2
SCHEMBL7907943 0.85 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7374481 0.84 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7384099 0.84 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7905276 0.84 PDE4A (0.81) 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-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US claimed
US-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed