SCHEMBL7948041

SCHEMBL7948041

CCn1ncc2c(NCc3ccc(OC)c(Cl)c3)c(C(=O)NCCCN3CCOCC3)cnc21

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.77
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PDE4B Q07343 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
SCHEMBL7957461 0.96 PDE5A (0.74) PDE5ALMNAPDE4B
SCHEMBL7961785 0.88 PDE5A (0.94) PDE5APDE4B
SCHEMBL7959070 0.87 PDE5A (0.98) PDE5APDE4B
SCHEMBL7956827 0.87 PDE5A (0.87) PDE5APDE4B
SCHEMBL7955086 0.87 PDE5A (1.00) PDE5A
SCHEMBL7955540 0.87 PDE5A (0.73) PDE5APDE4B
SCHEMBL7962059 0.87 PDE5A (1.00) PDE5APDE4B
SCHEMBL7947681 0.86 PDE5A (0.88) PDE5APDE4B
SCHEMBL7955490 0.86 PDE5A (0.90) PDE5APDE4B
SCHEMBL7961483 0.86 PDE5A (0.81) PDE5APDE4B

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 2 patents. 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 claimed
US-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed