SCHEMBL7744584

SCHEMBL7744584

C[C@@H]1CC(=O)NN=C1c1ccc(N=C(N)N(C)C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.54
PDE3A Q14432 13/20 0.54
TNNC1 P63316 1/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
LMNA P02545 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
GALR3 O60755 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL7744582 1.00 PDE3B (0.54) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL7746515 0.78 PDE3B (0.56) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL7743969 0.78 PDE3B (0.56) PDE3BPDE3ATNNC1ALDH1A1KDM4E
Siguazodan SCHEMBL1024118 0.77 KDM4E (0.67) PDE3BPDE3ATNNC1ALDH1A1KDM4E
Siguazodan SCHEMBL12648714 0.77 KDM4E (0.67) PDE3BPDE3ATNNC1ALDH1A1KDM4E
Siguazodan SCHEMBL149133 0.77 KDM4E (0.67) PDE3BPDE3ATNNC1ALDH1A1KDM4E
Siguazodan SCHEMBL7744697 0.77 KDM4E (0.67) PDE3BPDE3ATNNC1ALDH1A1KDM4E
Siguazodan SCHEMBL7744694 0.77 KDM4E (0.67) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL7744587 0.76 PDE3B (0.63) PDE3BPDE3ATNNC1ALDH1A1KDM4E
SCHEMBL10353457 0.75 PDE3B (0.71) PDE3BPDE3ATNNC1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001011933-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A 7-(2-AMINOETHYL)-BENZOTHIAZOLONE AND A PDE4 INHIBITOR ASTRAZENECA UK LIMITED (GB) 2001-02-22 WO disclosed