SCHEMBL4723846

SCHEMBL4723846

COc1cc(OC)cc(-c2nn(-c3cc(CCCO)ccc3C(F)(F)F)c(=O)c3c2CCC3)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.35
HRH3 Q9Y5N1 4/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
F10 P00742 1/20 0.33
S1PR1 P21453 1/20 0.33
TSHR P16473 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
GRM7 Q14831 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KLKB1 P03952 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRIA2 P42262 1/20 0.31

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
SCHEMBL4719466 0.91 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4722933 0.88 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4718698 0.88 HRH3 (0.41) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4719833 0.86 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4719129 0.86 HRH3 (0.40) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4719919 0.86 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4722084 0.86 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4721150 0.85 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL4720699 0.85 PDE4A (0.39) PDE4BPDE4APDE4CPDE4DSMN1; SMN2
SCHEMBL4721220 0.85 PDE4A (0.35) PDE4BPDE4APDE4CPDE4DSMN1; SMN2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed