SCHEMBL7956844

SCHEMBL7956844

CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NCCc3ccccc3OC)cnc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.48
PDE4B Q07343 8/20 0.48
PDE5A O76074 4/20 0.47
TYRO3 Q06418 1/20 0.43

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
SCHEMBL7956837 1.00 PDE4D (0.48) PDE4DPDE4BPDE5ATYRO3
SCHEMBL7959060 0.87 PDE5A (0.53) PDE4DPDE4BPDE5A
SCHEMBL7959058 0.87 PDE5A (0.53) PDE4DPDE4BPDE5A
SCHEMBL7955469 0.86 L3MBTL1 (0.49) PDE4DPDE4BPDE5A
SCHEMBL7955464 0.86 L3MBTL1 (0.49) PDE4DPDE4BPDE5A
SCHEMBL7957401 0.85 PDE4D (0.50) PDE4DPDE4BPDE5A
SCHEMBL7957407 0.85 PDE4D (0.50) PDE4DPDE4BPDE5A
SCHEMBL7956928 0.83 PDE4B (0.50) PDE4DPDE4BPDE5A
SCHEMBL7959082 0.83 PDE4B (0.51) PDE4DPDE4BPDE5A
SCHEMBL7959086 0.83 PDE4B (0.51) PDE4DPDE4BPDE5A

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