SCHEMBL8317685

SCHEMBL8317685

CCOc1cc2c(cc1OC)C(c1ccc(C(=O)N(C(C)C)C(C)C)cc1)=N[C@H]1CCNC[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.73
PDE4A P27815 1/20 0.73
PDE4B Q07343 1/20 0.73
PDE4C Q08493 1/20 0.73
PCSK9 Q8NBP7 1/20 0.34
REN P00797 2/20 0.34
MBTPS1 Q14703 4/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
LTB4R Q15722 1/20 0.33
SRD5A2 P31213 2/20 0.33
CYP2D6 P10635 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RIPK1 Q13546 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL5484482 0.86 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CLTB4R
SCHEMBL1824084 0.85 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CLTB4R
SCHEMBL4187551 0.85 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CLTB4R
Pumafentrine SCHEMBL8344522 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CLTB4R
Pumafentrine SCHEMBL26718 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CLTB4R
SCHEMBL7204721 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CLTB4R
SCHEMBL4187035 0.85 PDE4D (0.75) PDE4DPDE4APDE4BPDE4CLTB4R
Pumafentrine SCHEMBL29651667 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CLTB4R
Pumafentrine SCHEMBL447418 0.85 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CLTB4R
Pumafentrine SCHEMBL5187632 0.84 PDE4D (0.98) PDE4DPDE4APDE4BPDE4CLTB4R

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
WO-2004067006-A1 COMBINATION OF A PDE IV INHIBITOR AND A TNF-ALPHA ANTAGONIST PHARMACIA CORPORATION (US) 2004-08-12 WO disclosed