SCHEMBL14463576

SCHEMBL14463576

CN1CC(=O)N2[C@H](c3ccc4c(c3)CCO4)c3[nH]c4ccccc4c(=O)c3[C@H]2C1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.56
PDE6D O43924 1/20 0.53
NR1I2 O75469 1/20 0.53
PDE6A P16499 1/20 0.53
PDE6G P18545 1/20 0.53
ACHE P22303 1/20 0.53
PDE4A P27815 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
PDE6B P35913 1/20 0.53
PDE6C P51160 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
KCNH2 Q12809 1/20 0.53
PDE6H Q13956 1/20 0.53
PDE11A Q9HCR9 1/20 0.53
NR2E1 Q9Y466 1/20 0.53

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
SCHEMBL5227105 1.00 PDE5A (0.56) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL14464011 0.86 PDE5A (0.70) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL5231420 0.86 PDE5A (0.70) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL14464006 0.86 PDE5A (0.70) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL14464010 0.86 PDE5A (0.70) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL14463497 0.86 PDE5A (0.70) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL1326404 0.83 PDE5A (0.77) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL1326406 0.83 PDE5A (0.77) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL7441972 0.83 PDE5A (0.77) PDE5APDE6DNR1I2PDE6APDE6G
SCHEMBL1921236 0.83 PDE5A (0.77) PDE5APDE6DNR1I2PDE6APDE6G

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
EP-1448562-B1 SUBSTITUTED TETRACYCLIC PYRROLOQUINOLONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARMACEUTICAL CO (US) 2007-07-25 EP disclosed