SCHEMBL7955062

SCHEMBL7955062

CCN1CCCC1CNC(=O)c1cnc2c(cnn2CC)c1NC(C)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.57
PDE5A O76074 2/20 0.46
PDE4D Q08499 6/20 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
SCHEMBL7955069 1.00 PDE4B (0.57) PDE4BPDE5APDE4D
SCHEMBL7956730 0.87 PDE4B (0.51) PDE4BPDE5APDE4D
SCHEMBL7959119 0.85 PDE4B (0.56) PDE4BPDE5APDE4D
SCHEMBL7959121 0.85 PDE4B (0.56) PDE4BPDE5APDE4D
SCHEMBL7955120 0.85 PDE4B (0.55) PDE4BPDE5APDE4D
SCHEMBL7955130 0.85 PDE4B (0.55) PDE4BPDE5APDE4D
SCHEMBL7962094 0.84 PDE4B (0.53) PDE4BPDE5APDE4D
SCHEMBL7962099 0.84 PDE4B (0.53) PDE4BPDE5APDE4D
SCHEMBL7958600 0.84 PDE4B (0.49) PDE4BPDE5APDE4D
SCHEMBL7958596 0.84 PDE4B (0.49) PDE4BPDE5APDE4D

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