SCHEMBL7402437

SCHEMBL7402437

COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C.[NaH]

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 12/20 0.97
PDE1A P54750 5/20 0.97
PDE1B Q01064 5/20 0.97
PDE1C Q14123 5/20 0.97
MEN1 O00255 1/20 0.97
CYP1A2 P05177 1/20 0.97
CYP3A4 P08684 1/20 0.97
TSHR P16473 1/20 0.97
CYP2C19 P33261 1/20 0.97
BLM P54132 1/20 0.97
KMT2A Q03164 1/20 0.97
PDE2A O00408 4/20 0.64
PDE3B Q13370 4/20 0.56
PDE3A Q14432 4/20 0.56
ADORA1 P30542 1/20 0.54

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
SCHEMBL782824 0.99 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL1111560 0.89 PDE5A (0.81) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL2917588 0.84 PDE5A (0.74) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4622439 0.83 PDE5A (0.73) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL7089133 0.81 PDE5A (0.70) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL10960178 0.81 PDE5A (0.70) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL14889319 0.81 PDE5A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4622802 0.80 PDE5A (0.68) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL897036 0.79 PDE1A (1.00) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL9927457 0.79 PDE1A (0.66) PDE5APDE1APDE1BPDE1CMEN1

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
WO-2002022127-A1 USE OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF ANORECTAL DISORDERS ISIS INNOVATION LIMITED (GB) 2002-03-21 WO claimed