SCHEMBL7907852

SCHEMBL7907852

C[C@H](Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1

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 1/20 0.64

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
SCHEMBL7899088 1.00 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899091 1.00 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7899075 0.94 PDE4A (0.88) PDE4AKCNH2
SCHEMBL7899047 0.90 PDE4A (0.82) PDE4AKCNH2
SCHEMBL7906668 0.90 PDE4A (0.82) PDE4AKCNH2
SCHEMBL7899094 0.88 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7899098 0.88 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7905270 0.88 PDE4A (0.78) PDE4AKCNH2
SCHEMBL7905267 0.85 PDE4A (1.00) PDE4AKCNH2
SCHEMBL7906655 0.85 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 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