SCHEMBL7312758

SCHEMBL7312758

O=C1CC2CCc3cc(-n4ccc(=O)cc4)ccc3C2=NN1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 16/20 0.59
PDE3B Q13370 11/20 0.59
HRH3 Q9Y5N1 2/20 0.52
KCNH2 Q12809 1/20 0.52
PDE4B Q07343 6/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE2A O00408 2/20 0.34
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
TBXAS1 P24557 1/20 0.32
CRBN Q96SW2 1/20 0.32
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31

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
SCHEMBL16157213 0.80 PDE3A (0.54) PDE3APDE3BHRH3KCNH2
SCHEMBL9602068 0.78 HRH3 (0.57) PDE3APDE3BHRH3KCNH2MAPT
SCHEMBL10753296 0.78 HRH3 (0.54) PDE3APDE3BHRH3KCNH2PDE4B
SCHEMBL8305150 0.78 HRH3 (0.54) PDE3APDE3BHRH3KCNH2
Hydrochloric Acid SCHEMBL7314082 0.77 HRH3 (0.56) PDE3APDE3BHRH3KCNH2PDE4B
SCHEMBL10341530 0.76 HRH3 (0.53) PDE3APDE3BHRH3KCNH2CRBN
SCHEMBL10341521 0.75 HRH3 (0.62) PDE3APDE3BHRH3KCNH2PDE4B
SCHEMBL9381030 0.74 PDE3B (1.00) PDE3APDE3BPDE4BPDE4APDE4C
SCHEMBL10341574 0.74 PDE3A (0.50) PDE3APDE3BHRH3KCNH2PDE4B
SCHEMBL10341540 0.73 HRH3 (0.50) PDE3APDE3BHRH3KCNH2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP claimed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed