SCHEMBL8298973

SCHEMBL8298973

NCCCCC1Cc2ccc(C3=NNC(=O)CC3)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.43
PDE3A Q14432 11/20 0.43
PDE4A P27815 6/20 0.43
PDE4B Q07343 6/20 0.43
PDE4C Q08493 6/20 0.43
PDE4D Q08499 6/20 0.43
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL8292412 0.92 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8300849 0.87 PDE3B (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8303766 0.80 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8300953 0.79 MAPT (0.45) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8300078 0.75 MAPT (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9414700 0.74 PDE3B (0.50) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9177711 0.73 TBXA2R (0.56) PDE3BPDE3APDE4APDE4BPDE4C
Iodide SCHEMBL8309296 0.73 PDE3B (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8303551 0.73 LMNA (0.48) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL8291725 0.73 PDE3B (0.41) PDE3BPDE3APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed