SCHEMBL7955231

SCHEMBL7955231

CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCCCn3ccnc3)cnc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.48
PDE4D Q08499 11/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL7955233 1.00 PDE4B (0.48) PDE4BPDE4DKDM4E
SCHEMBL7957448 0.85 PDE4B (0.53) PDE4BPDE4D
SCHEMBL7957454 0.85 PDE4B (0.53) PDE4BPDE4D
SCHEMBL7961724 0.85 PDE4B (0.55) PDE4BPDE4D
SCHEMBL7961719 0.85 PDE4B (0.55) PDE4BPDE4D
SCHEMBL7959018 0.84 PDE4B (0.57) PDE4BPDE4D
SCHEMBL7958600 0.84 PDE4B (0.49) PDE4BPDE4D
SCHEMBL7958596 0.84 PDE4B (0.49) PDE4BPDE4D
SCHEMBL7959006 0.84 PDE4B (0.57) PDE4BPDE4D
SCHEMBL7955120 0.84 PDE4B (0.55) 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