SCHEMBL7402575

SCHEMBL7402575

Cc1cn(C2CCOC2)c2cc(C(=O)Oc3cccc4[nH]nnc34)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.38
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CNR1 P21554 3/20 0.35
GAA P10253 1/20 0.35
FGFR1 P11362 1/20 0.33
DDR2 Q16832 1/20 0.33
ASH1L Q9NR48 1/20 0.33
MAP4K1 Q92918 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL1554432 0.77 CNR2 (0.46) HTR3APDE4APDE4BPDE4CPDE4D
SCHEMBL7402578 0.75 HDAC3 (0.47) HTR3APDE4APDE4BPDE4CPDE4D
SCHEMBL1554751 0.74 PDE4A (0.45) HTR3APDE4APDE4BPDE4CPDE4D
SCHEMBL8605201 0.73 PDE4A (0.47) HTR3APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL8605205 0.73 PDE4A (0.44) HTR3APDE4APDE4BPDE4CPDE4D
SCHEMBL7397635 0.67 SLC6A3 (0.44) ALDH1A1
SCHEMBL1554082 0.66 PDE4A (0.78) PDE4APDE4BPDE4CPDE4D
SCHEMBL6155017 0.66 LMNA (0.54) GAANPSR1
SCHEMBL1553385 0.65 SLC22A12 (0.36) PDE4APDE4BPDE4CPDE4D
SCHEMBL1555420 0.65 PTGER4 (0.37) ALDH1A1HTTKDM4C

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-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 WO disclosed