SCHEMBL7318837

SCHEMBL7318837

O=C1CCC(c2ccc(-n3ccc(=O)cc3)cc2)=NN1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 11/20 0.68
PDE3A Q14432 11/20 0.68
PDE4A P27815 4/20 0.68
PDE4B Q07343 4/20 0.68
PDE4C Q08493 4/20 0.68
PDE4D Q08499 4/20 0.68
LMNA P02545 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
TSHR P16473 1/20 0.68
MAPK1 P28482 1/20 0.68
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.57
PDE2A O00408 3/20 0.52
KCNH2 Q12809 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50

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
SCHEMBL7287604 0.89 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7286021 0.83 PDE3B (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353452 0.82 SMN1; SMN2 (0.81) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL148436 0.81 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
Imazodan SCHEMBL124243 0.80 PDE3B (0.97) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10745652 0.80 PDE3B (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7316487 0.78 PDE3B (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL21969534 0.76 GPR119 (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9687996 0.75 SMN1; SMN2 (0.70) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL927560 0.75 SMN1; SMN2 (0.70) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US claimed
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