SCHEMBL8714966

SCHEMBL8714966

COC(=O)NC1CCc2scc(C3=NNC(=O)CC3)c2C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
PDE4B Q07343 2/20 0.33
PDE3A Q14432 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8717945 0.92 PDE4B (0.33) MTNR1AMTNR1BPDE4BPDE3AABL1
SCHEMBL9414809 0.77 PDE4B (0.35) MTNR1AMTNR1BPDE4BPDE3APDE4A
SCHEMBL9414693 0.76 SMN1; SMN2 (0.36) PDE4BPDE3APDE4APDE4CPDE4D
Iodide SCHEMBL8720179 0.75 SMN1; SMN2 (0.35) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL9414695 0.75 PDE4B (0.35) MTNR1AMTNR1BPDE4BPDE3APDE4A
SCHEMBL8306755 0.74 MTNR1A (0.37) MTNR1AMTNR1BPDE4BPDE3APDE4A
SCHEMBL8715076 0.74 BRD4 (0.34) PDE3APDE3BALDH1A1MEN1MAPT
SCHEMBL8304547 0.72 PDE3B (0.48) MTNR1AMTNR1BPDE4BPDE3APDE4A
SCHEMBL8718071 0.69 SMN1; SMN2 (0.36) PDE4BPDE3APDE4APDE4CPDE4D
SCHEMBL8720199 0.68 HTT (0.38) MTNR1AMTNR1BL3MBTL1ALDH1A1MAPT

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
US-5739132-A ENDOTHOXIN SHOCK; NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1998-04-14 US disclosed
EP-0579059-A1 Pyridazinone derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1994-01-19 EP disclosed