SCHEMBL7053592

SCHEMBL7053592

CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(F)cc(OC)c21

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.60
PDE4B Q07343 8/20 0.60
PDE4C Q08493 8/20 0.60
PDE4D Q08499 8/20 0.60
CNR2 P34972 3/20 0.55
PDE10A Q9Y233 4/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL7051886 0.88 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCNR2
Hydrochloric Acid SCHEMBL7056139 0.87 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7055496 0.85 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7056821 0.83 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7056817 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7051890 0.82 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7056147 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7053642 0.76 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7055488 0.75 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DCNR2
SCHEMBL7055648 0.75 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DALDH1A1

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-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP claimed
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed