SCHEMBL7955301

SCHEMBL7955301

CCn1ncc2c(N[C@@H](C)C3CCCCC3)c(C(=O)NCc3cccnc3)cnc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.57
PDE5A O76074 2/20 0.48
NR3C1 P04150 3/20 0.47
PDE4D Q08499 6/20 0.47

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
SCHEMBL7955305 1.00 PDE4B (0.57) PDE4BPDE5ANR3C1PDE4D
SCHEMBL7956928 0.92 PDE4B (0.50) PDE4BPDE5APDE4D
SCHEMBL7956937 0.92 PDE4B (0.50) PDE4BPDE5APDE4D
SCHEMBL7947992 0.91 PDE4B (0.57) PDE4BPDE5ANR3C1PDE4D
SCHEMBL7947996 0.91 PDE4B (0.57) PDE4BPDE5ANR3C1PDE4D
SCHEMBL7961851 0.91 PDE4B (0.57) PDE4BPDE5ANR3C1PDE4D
SCHEMBL4340184 0.88 PDE4B (0.70) PDE4BPDE4D
SCHEMBL7962125 0.88 PDE4B (0.53) PDE4BPDE5APDE4D
SCHEMBL7962122 0.88 PDE4B (0.53) PDE4BPDE5APDE4D
SCHEMBL7959140 0.86 PDE4B (0.54) PDE4BPDE5ANR3C1PDE4D

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