SCHEMBL7961785

SCHEMBL7961785

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

nearest known ligand 0.94

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.94
PDE4B Q07343 1/20 0.49
NR3C1 P04150 4/20 0.49

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
SCHEMBL7959070 0.98 PDE5A (0.98) PDE5APDE4BNR3C1
SCHEMBL7962059 0.97 PDE5A (1.00) PDE5APDE4BNR3C1
SCHEMBL7947681 0.95 PDE5A (0.88) PDE5APDE4BNR3C1
SCHEMBL7956827 0.93 PDE5A (0.87) PDE5APDE4BNR3C1
SCHEMBL7955490 0.92 PDE5A (0.90) PDE5APDE4BNR3C1
SCHEMBL7961483 0.91 PDE5A (0.81) PDE5APDE4BNR3C1
SCHEMBL7959134 0.90 PDE5A (0.80) PDE5APDE4BNR3C1
SCHEMBL7947735 0.90 PDE5A (0.79) PDE5APDE4BNR3C1
SCHEMBL7948013 0.89 PDE5A (0.81) PDE5APDE4BNR3C1
SCHEMBL7947974 0.89 PDE5A (0.81) PDE5APDE4BNR3C1

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