SCHEMBL4430357

SCHEMBL4430357

COc1ccc(C(C=O)c2c(Cl)cncc2Cl)c(OCCc2ccc(F)cc2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.48
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
P2RX7 Q99572 1/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL885209 0.93 PDE4D (0.49) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL884919 0.92 PDE4D (0.48) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL886793 0.91 PDE4D (0.48) PDE4DCNR2PDE4APDE4BPDE4C
SCHEMBL885375 0.91 PDE4D (0.41) PDE4DCNR1CNR2PDE4APDE4B
SCHEMBL885330 0.90 PDE4D (0.46) PDE4DNPBWR1MCHR1
SCHEMBL885267 0.90 PDE4D (0.42) PDE4DCNR1CNR2
SCHEMBL885291 0.89 PDE4D (0.46) PDE4DPDE4APDE4BPDE4C
SCHEMBL885212 0.88 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CNPBWR1
SCHEMBL885364 0.88 PDE4D (0.40) PDE4DCNR1CNR2NPBWR1MCHR1
SCHEMBL886775 0.87 PDE4D (0.48) PDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925364-A1 A METHOD OF INHIBITING THE EXPRESSION OF IL-22 IN ACTIVATED T-CELLS Leo Pharma A/S (DK) 2015-10-07 EP disclosed
WO-2014083099-A1 A METHOD OF INHIBITING THE EXPRESSION OF IL-22 IN ACTIVATED T-CELLS LEO PHARMA A/S (DK) 2014-06-05 WO disclosed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP disclosed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO disclosed