SCHEMBL7534256

SCHEMBL7534256

CCn1cc(C(=O)NC2CCc3cc(OC)c(OC)cc32)c(=O)c2cnc(N3CCCC3)nc21

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.73
PDE4B Q07343 3/20 0.73
PDE4C Q08493 3/20 0.73
PDE4D Q08499 3/20 0.73
LMNA P02545 1/20 0.56
CASP1 P29466 1/20 0.56
PDE10A Q9Y233 11/20 0.52
ALDH1A1 P00352 1/20 0.51
ENPP2 Q13822 3/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 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
SCHEMBL7419664 0.86 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6546409 0.86 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL7417188 0.85 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL6546480 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7426520 0.84 PDE4A (0.89) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7422908 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6547157 0.82 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL6545993 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7419811 0.81 PDE4A (0.93) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL7419096 0.80 PDE4A (0.92) PDE4APDE4BPDE4CPDE4DLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841927-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP claimed
WO-1997004775-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO claimed
EP-0841927-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004775-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed