SCHEMBL7947698

SCHEMBL7947698

CCn1ncc2c(NCCN3CCOCC3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.60
PDE4B Q07343 9/20 0.59
NR3C1 P04150 3/20 0.50
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL7947692 0.83 PDE4B (0.59) PDE5APDE4BNR3C1
SCHEMBL4348757 0.82 PDE4B (0.85) PDE5APDE4BNR3C1
SCHEMBL7955219 0.81 PDE5A (0.66) PDE5APDE4BNR3C1
SCHEMBL7958848 0.80 PDE5A (0.58) PDE5APDE4BNR3C1SMN1; SMN2
SCHEMBL7955535 0.80 PDE5A (0.72) PDE5APDE4BNR3C1
SCHEMBL7957461 0.78 PDE5A (0.74) PDE5APDE4B
SCHEMBL5962686 0.78 PDE4B (0.80) PDE5APDE4BNR3C1
SCHEMBL4339585 0.77 PDE4B (0.72) PDE5APDE4BNR3C1
SCHEMBL7948031 0.77 PDE5A (0.82) PDE5APDE4BNR3C1
SCHEMBL4335267 0.77 PDE4B (0.71) 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