SCHEMBL7948055

SCHEMBL7948055

CCn1ncc2c(N[C@@H](C)C3CCCCC3)c(C(=O)NCc3ccc(O)c(OC)c3)cnc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.55
PDE4B Q07343 6/20 0.50
NR3C1 P04150 3/20 0.46
PDE4D Q08499 5/20 0.45

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
SCHEMBL7957220 1.00 PDE5A (0.55) PDE5APDE4BNR3C1PDE4D
SCHEMBL7948060 1.00 PDE5A (0.55) PDE5APDE4BNR3C1PDE4D
SCHEMBL7957252 0.90 PDE5A (0.52) PDE5APDE4BNR3C1PDE4D
SCHEMBL7957254 0.90 PDE5A (0.52) PDE5APDE4BNR3C1PDE4D
SCHEMBL7959058 0.87 PDE5A (0.53) PDE5APDE4BPDE4D
SCHEMBL7959060 0.87 PDE5A (0.53) PDE5APDE4BPDE4D
SCHEMBL7957095 0.86 PDE4B (0.53) PDE5APDE4BNR3C1PDE4D
SCHEMBL7957085 0.86 PDE4B (0.53) PDE5APDE4BNR3C1PDE4D
SCHEMBL7961874 0.85 PDE5A (0.49) PDE5APDE4BNR3C1PDE4D
SCHEMBL7961881 0.85 PDE5A (0.49) PDE5APDE4BNR3C1PDE4D

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