SCHEMBL8327863

SCHEMBL8327863

CCOc1cc2c(cc1OCC)C1CN(C)CCC1N=C2c1ccc(C(=O)OC)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.75
PDE4A P27815 3/20 0.75
PDE4B Q07343 3/20 0.75
PDE4C Q08493 3/20 0.75
ATM Q13315 1/20 0.36
SSTR5 P35346 4/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CHKA P35790 1/20 0.34
CHRM3 P20309 2/20 0.34
S1PR1 P21453 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL13350269 1.00 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL7209210 1.00 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CATM
Hydrochloric Acid SCHEMBL8390741 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CATM
Hydrochloric Acid SCHEMBL8390738 0.99 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CATM
Hydrochloric Acid SCHEMBL7207679 0.97 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CATM
Hydrochloric Acid SCHEMBL7207684 0.97 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CATM
SCHEMBL7211517 0.90 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CSSTR5
SCHEMBL7207660 0.90 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CSSTR5
SCHEMBL3555816 0.90 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CSSTR5
SCHEMBL6440046 0.90 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CSSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed