SCHEMBL6820399

SCHEMBL6820399

N#C[C@]1(c2ccc(OC(F)F)c(OCC3CC3)c2)CC[C@@H](OC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 20/20 0.55
▸ PDE4A P27815 16/20 0.55
▸ PDE4C Q08493 16/20 0.55
▸ PDE4D Q08499 16/20 0.55
▸ ABCB11 O95342 1/20 0.42

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
SCHEMBL6821610 1.00 PDE4B (0.55) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6821590 0.90 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL6196613 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6197797 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6196611 0.89 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL7451202 0.88 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL6820456 0.88 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6821571 0.88 PDE4B (0.65) PDE4BPDE4APDE4CPDE4D
SCHEMBL6817523 0.87 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11
SCHEMBL7114306 0.87 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DABCB11

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
EP-1051172-B1 METHOD FOR TREATING COPD SMITHKLINE BEECHAM CORP (US) 2004-12-22 — — EP claimed
EP-0919544-B1 Compounds useful for treating allergic and inflammatory diseases SMITHKLINE BEECHAM CORP (US) 2003-05-14 — — EP claimed
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