SCHEMBL7947675

SCHEMBL7947675

CCn1ncc2c(NCc3ccc(OC)c(F)c3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.82
PDE4B Q07343 2/20 0.56
NR3C1 P04150 4/20 0.51
CDK2 P24941 1/20 0.46
GSK3B P49841 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL7005158 0.90 PDE5A (1.00) PDE5APDE4BNR3C1
SCHEMBL7955535 0.87 PDE5A (0.72) PDE5APDE4BNR3C1
SCHEMBL7955490 0.85 PDE5A (0.90) PDE5APDE4BNR3C1
SCHEMBL7948031 0.84 PDE5A (0.82) PDE5APDE4BNR3C1GAA
SCHEMBL7954877 0.83 PDE5A (0.87) PDE5APDE4BNR3C1CDK2GSK3B
SCHEMBL12551683 0.83 PDE5A (0.86) PDE5APDE4BNR3C1
SCHEMBL7955209 0.82 PDE5A (0.84) PDE5APDE4BNR3C1ALDH1A1MAPK1
SCHEMBL7096587 0.81 PDE5A (0.83) PDE5APDE4BNR3C1
SCHEMBL7956986 0.81 PDE5A (0.82) PDE5APDE4BNR3C1
SCHEMBL7958851 0.80 PDE5A (0.81) PDE5APDE4BNR3C1

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
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed