SCHEMBL7956730

SCHEMBL7956730

CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCC[C@H]3CCCN3C)cnc21

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.51
PDE4D Q08499 9/20 0.46
PDE5A O76074 1/20 0.44

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
SCHEMBL7955062 0.87 PDE4B (0.57) PDE4BPDE4DPDE5A
SCHEMBL7955069 0.87 PDE4B (0.57) PDE4BPDE4DPDE5A
SCHEMBL7962099 0.87 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7962094 0.87 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7955120 0.86 PDE4B (0.55) PDE4BPDE4DPDE5A
SCHEMBL7955130 0.86 PDE4B (0.55) PDE4BPDE4DPDE5A
SCHEMBL7957448 0.85 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7957454 0.85 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7962087 0.85 PDE4B (0.58) PDE4BPDE4D
SCHEMBL7962082 0.85 PDE4B (0.58) PDE4BPDE4D

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