SCHEMBL7947692

SCHEMBL7947692

CCn1ncc2c(NC(C)N3CCOCC3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.59
PDE5A O76074 2/20 0.56
NR3C1 P04150 6/20 0.50
PGR P06401 1/20 0.43

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
SCHEMBL7947698 0.83 PDE5A (0.60) PDE4BPDE5ANR3C1
SCHEMBL4348757 0.82 PDE4B (0.85) PDE4BPDE5ANR3C1
SCHEMBL7961851 0.81 PDE4B (0.57) PDE4BPDE5ANR3C1
SCHEMBL7947992 0.81 PDE4B (0.57) PDE4BPDE5ANR3C1
SCHEMBL7947996 0.81 PDE4B (0.57) PDE4BPDE5ANR3C1
SCHEMBL7947714 0.80 PDE5A (0.58) PDE4BPDE5ANR3C1PGR
SCHEMBL7955223 0.79 PDE5A (0.61) PDE4BPDE5ANR3C1PGR
SCHEMBL4339585 0.77 PDE4B (0.72) PDE4BPDE5ANR3C1
SCHEMBL4335267 0.77 PDE4B (0.71) PDE4BPDE5ANR3C1
SCHEMBL7947832 0.76 PDE5A (0.60) PDE4BPDE5ANR3C1PGR

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