SCHEMBL7020105

SCHEMBL7020105

COc1ccccc1-c1cnc(N2CC(=O)c3c([nH]c4ccccc34)C2c2ccc3c(c2)OCO3)nc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.83
PDE6C P51160 2/20 0.55
PDE11A Q9HCR9 2/20 0.55

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
SCHEMBL7019007 0.91 PDE5A (1.00) PDE5APDE6CPDE11A
SCHEMBL6290604 0.89 PDE5A (1.00) PDE5APDE6CPDE11A
SCHEMBL7019096 0.86 PDE5A (0.84) PDE5APDE6CPDE11A
SCHEMBL6406296 0.80 PDE5A (1.00) PDE5A
SCHEMBL6407670 0.80 PDE5A (1.00) PDE5A
SCHEMBL6409674 0.80 PDE5A (1.00) PDE5A
SCHEMBL6412773 0.78 PDE5A (1.00) PDE5A
SCHEMBL6412150 0.75 PDE5A (0.84) PDE5A
SCHEMBL6407260 0.75 PDE5A (1.00) PDE5A
SCHEMBL6290660 0.75 PDE5A (1.00) PDE5A

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-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed