SCHEMBL7958848

SCHEMBL7958848

CCn1ncc2c(NCCCn3ccnc3)c(C(=O)NCc3ccncc3)cnc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.58
KDM4E B2RXH2 1/20 0.57
NR3C1 P04150 4/20 0.50
PDE4B Q07343 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.42
PDE4D Q08499 4/20 0.42

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
SCHEMBL7955219 0.84 PDE5A (0.66) PDE5ANR3C1PDE4BPDE4D
SCHEMBL7947698 0.80 PDE5A (0.60) PDE5ANR3C1PDE4BSMN1; SMN2
SCHEMBL7955535 0.80 PDE5A (0.72) PDE5ANR3C1PDE4B
SCHEMBL7955235 0.80 PDE5A (0.75) PDE5AKDM4EPDE4BSMN1; SMN2
SCHEMBL7947832 0.76 PDE5A (0.60) PDE5ANR3C1PDE4B
SCHEMBL4338651 0.76 NR3C1 (0.82) PDE5ANR3C1PDE4B
SCHEMBL4339585 0.76 PDE4B (0.72) PDE5ANR3C1PDE4BPDE4D
SCHEMBL7955231 0.75 PDE4B (0.48) KDM4EPDE4BPDE4D
SCHEMBL7955233 0.75 PDE4B (0.48) KDM4EPDE4BPDE4D
SCHEMBL7948031 0.75 PDE5A (0.82) PDE5ANR3C1PDE4B

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