SCHEMBL5048063

SCHEMBL5048063

O=C(c1ccccc1)N1CCC(Oc2cc(C3=NOC4(CCOC4)C3)ccc2OC(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.38
PDE4D Q08499 13/20 0.36
PDE4A P27815 6/20 0.36
PDE4C Q08493 6/20 0.36
PROKR1 Q8TCW9 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3R1 P27986 1/20 0.34
BCAT2 O15382 1/20 0.33
PIK3CA P42336 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
SCHEMBL916480 1.00 PDE4B (0.38) PDE4BPDE4DPDE4APDE4CPROKR1
SCHEMBL916979 0.95 PDE4B (0.39) PDE4BPDE4DPDE4APDE4CPROKR1
SCHEMBL918227 0.95 MEN1 (0.39) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL917232 0.93 PDE4D (0.36) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL3676661 0.91 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL3680467 0.91 PDE4D (0.37) PDE4BPDE4DPDE4APDE4C
SCHEMBL916681 0.89 PIK3CD (0.39) PDE4BPDE4DPDE4APDE4CPIK3CD
SCHEMBL916770 0.89 GRM5 (0.38) PDE4BPDE4DPDE4APDE4CPROKR1
SCHEMBL917169 0.89 PDE4D (0.38) PDE4BPDE4DPDE4APDE4CMEN1
SCHEMBL918060 0.88 PIK3CD (0.40) PDE4BPDE4DPDE4APDE4CPIK3CD

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-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed