SCHEMBL7899072

SCHEMBL7899072

C[C@H](c1ccccc1)N(C)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 0.63

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
SCHEMBL7374477 1.00 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899056 1.00 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899119 0.90 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7378427 0.90 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899109 0.90 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899113 0.88 PDE4A (0.79) PDE4AKCNH2
SCHEMBL7899087 0.88 PDE4A (0.79) PDE4AKCNH2
SCHEMBL7384099 0.87 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899114 0.87 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7388937 0.86 PDE4A (0.83) 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