SCHEMBL7956928

SCHEMBL7956928

CCn1ncc2c(N[C@H](C)C3CCCCC3)c(C(=O)NCCc3cccnc3)cnc21

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.50
PDE4D Q08499 10/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
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
SCHEMBL7956937 1.00 PDE4B (0.50) PDE4BPDE4DIRAK4PDE5A
SCHEMBL7955301 0.92 PDE4B (0.57) PDE4BPDE4DPDE5A
SCHEMBL7955305 0.92 PDE4B (0.57) PDE4BPDE4DPDE5A
SCHEMBL7957401 0.87 PDE4D (0.50) PDE4BPDE4DPDE5A
SCHEMBL7957407 0.87 PDE4D (0.50) PDE4BPDE4DPDE5A
SCHEMBL7962122 0.86 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7962125 0.86 PDE4B (0.53) PDE4BPDE4DPDE5A
SCHEMBL7955464 0.86 L3MBTL1 (0.49) PDE4BPDE4DIRAK4PDE5A
SCHEMBL7955469 0.86 L3MBTL1 (0.49) PDE4BPDE4DIRAK4PDE5A
SCHEMBL7957271 0.85 IRAK4 (0.48) PDE4BPDE4DIRAK4

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