SCHEMBL9628941

SCHEMBL9628941

O=c1c([N+]2([O-])CCCCC2CO)c(O)c2cccnc2n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.41
PDE4A P27815 7/20 0.40
PDE4B Q07343 6/20 0.40
PDE4C Q08493 6/20 0.40
PDE4D Q08499 6/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
REN P00797 1/20 0.35
PDE7A Q13946 1/20 0.34
LDHA P00338 1/20 0.34
LOXL3 P58215 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9488229 0.82 FEN1 (0.49) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629791 0.81 FEN1 (0.48) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629023 0.79 FEN1 (0.46) FEN1PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL9715619 0.78 FEN1 (0.49) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629996 0.78 FEN1 (0.49) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9628875 0.77 FEN1 (0.48) FEN1PDE4APDE4BPDE4CPDE4D
Water SCHEMBL9629048 0.77 FEN1 (0.48) FEN1PDE4APDE4BPDE4CPDE4D
Water SCHEMBL9630923 0.76 FEN1 (0.47) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL10582954 0.73 FEN1 (0.44) FEN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9629677 0.72 FEN1 (0.43) FEN1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP claimed
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0338010-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE. SCHERING CORP (US) 1989-10-25 EP claimed
WO-1988004172-A1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1988-06-16 WO claimed
EP-0232328-A1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS. SCHERING CORP (US) 1987-08-19 EP claimed
WO-1987000752-A2 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1987-02-12 WO claimed
EP-0232328-B1 ZWITTERIONIC BICYCLIC COMPOUNDS AND THEIR SALTS, SOLVATES, HYDRATES AND ESTERS SCHERING CORPORATION (US) 1992-04-15 EP disclosed
EP-0302303-A2 Bicyclic compounds, their use as pharmaceuticals, their preparation, and intermediates useful in their preparation SCHERING CORPORATION (US) 1989-02-08 EP disclosed