SCHEMBL17772017

SCHEMBL17772017

COc1c(OC(F)F)ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c1OC

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.58
PDE4D Q08499 15/20 0.56
PDE4B Q07343 3/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
PDE4C Q08493 2/20 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
SCHEMBL17772015 0.84 PDE4D (0.78) PDE4APDE4DPDE4BPDE4C
SCHEMBL1434080 0.79 PDE4D (0.60) PDE4APDE4DPDE4BPDE4C
SCHEMBL1434406 0.77 PDE4D (0.65) PDE4APDE4DPDE4BPDE4C
SCHEMBL1435157 0.75 PDE4D (0.64) PDE4APDE4DPDE4BPDE4C
SCHEMBL1434224 0.75 PDE4D (0.75) PDE4APDE4DPDE4BPDE4C
SCHEMBL1697738 0.74 PDE4A (1.00) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL14936339 0.73 PDE4A (1.00) PDE4APDE4DPDE4BPDE3BPDE3A
SCHEMBL1434359 0.73 PDE4D (0.74) PDE4APDE4DPDE4BPDE4C
SCHEMBL1434242 0.72 PDE4D (1.00) PDE4APDE4DPDE4BPDE4C
SCHEMBL5794189 0.72 PDE4D (0.50) PDE4APDE4DPDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585469-B1 BENZODIOXOLE OR BENZODIOXEPINE HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2016-05-25 EP disclosed