SCHEMBL8301211

SCHEMBL8301211

CC(=O)C(CCc1ccccc1)NC(CCCCN)C(=O)N1CCCC1C(=O)OCCOCCON(O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.62
LMNA P02545 1/20 0.46
FKBP1A P62942 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 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
SCHEMBL8302546 0.94 ACE (0.63) ACELMNAFKBP1ASMN1; SMN2DPP4
SCHEMBL13929886 0.93 ACE (0.61) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL8298921 0.89 ACE (0.64) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL8298922 0.89 ACE (0.64) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL13929850 0.88 ACE (0.62) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL8301131 0.88 ACE (0.62) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL8298925 0.88 ACE (0.63) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL8301015 0.87 ACE (0.61) ACELMNAFKBP1ASMN1; SMN2
SCHEMBL13930170 0.86 ACE (0.68) ACELMNAFKBP1ASMN1; SMN2DPP4
SCHEMBL8298820 0.86 ACE (0.61) ACELMNAFKBP1ASMN1; SMN2DPP4

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
WO-2004110432-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX S.A. (FR) 2004-12-23 WO disclosed