SCHEMBL5200820

SCHEMBL5200820

Fc1ccc([C]2CC2c2nc3nc(N4CCNCC4)nc(N4CCCC4)c3nc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 0.57
PDE4B Q07343 11/20 0.57
PDE4C Q08493 11/20 0.57
PDE4D Q08499 11/20 0.57
HTR7 P34969 3/20 0.36
HTR1A P08908 2/20 0.36
HTR2B P41595 2/20 0.36
HTR6 P50406 2/20 0.36
HTR1D P28221 1/20 0.36
HTR3A P46098 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HRH1 P35367 1/20 0.35
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CASP1 P29466 1/20 0.34
CASP4 P49662 1/20 0.34
CASP5 P51878 1/20 0.34
HTR2A P28223 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
SCHEMBL6397973 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL3319161 0.73 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHRH4
SCHEMBL10709061 0.73 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL1720095 0.73 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL3326385 0.71 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL1719680 0.70 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL3322406 0.70 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHTR3A
SCHEMBL3321848 0.69 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL3321333 0.68 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DHRH1
SCHEMBL1720035 0.67 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DHRH4

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-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 WO disclosed