SCHEMBL7957486

SCHEMBL7957486

CCn1ncc2c(NC(C)C3CCCCC3)c(C(=O)NC3Cc4ccccc4C3)cnc21

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.56
PDE4D Q08499 6/20 0.48
PDE5A O76074 1/20 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
SCHEMBL7957479 1.00 PDE4B (0.56) PDE4BPDE4DPDE5A
SCHEMBL4332777 0.88 PDE4B (0.72) PDE4BPDE4D
SCHEMBL4819013 0.88 PDE4B (0.54) PDE4BPDE4D
SCHEMBL4816391 0.88 PDE4B (0.54) PDE4BPDE4D
SCHEMBL4346466 0.88 PDE4B (0.72) PDE4BPDE4D
Hydrochloric Acid SCHEMBL4332598 0.87 PDE4B (0.71) PDE4BPDE4D
SCHEMBL7959119 0.85 PDE4B (0.56) PDE4BPDE4DPDE5A
SCHEMBL7959121 0.85 PDE4B (0.56) PDE4BPDE4DPDE5A
SCHEMBL4332446 0.85 PDE4B (0.70) PDE4BPDE4D
SCHEMBL4339683 0.84 PDE4B (0.68) 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