SCHEMBL7956986

SCHEMBL7956986

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

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.82
NR3C1 P04150 4/20 0.53
PDE4B Q07343 2/20 0.49
PDE6D O43924 1/20 0.46
PDE6A P16499 1/20 0.46
PDE6G P18545 1/20 0.46
PDE6B P35913 1/20 0.46
PDE6C P51160 1/20 0.46
PDE6H Q13956 1/20 0.46

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
SCHEMBL7955490 0.95 PDE5A (0.90) PDE5ANR3C1PDE4BPDE6DPDE6A
SCHEMBL12551683 0.91 PDE5A (0.86) PDE5ANR3C1PDE4B
SCHEMBL7005158 0.90 PDE5A (1.00) PDE5ANR3C1PDE4B
SCHEMBL7096587 0.89 PDE5A (0.83) PDE5ANR3C1PDE4B
SCHEMBL7947974 0.89 PDE5A (0.81) PDE5ANR3C1PDE4BPDE6DPDE6A
SCHEMBL7947681 0.89 PDE5A (0.88) PDE5ANR3C1PDE4B
SCHEMBL7958851 0.88 PDE5A (0.81) PDE5ANR3C1PDE4B
SCHEMBL7955209 0.88 PDE5A (0.84) PDE5ANR3C1PDE4B
SCHEMBL7961483 0.88 PDE5A (0.81) PDE5ANR3C1PDE4BPDE6DPDE6A
SCHEMBL7955487 0.88 PDE5A (0.78) PDE5ANR3C1PDE4BPDE6DPDE6A

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