SCHEMBL6064947

SCHEMBL6064947

NCCCC[C@@H](C=O)N[C@@H](CCc1ccccc1)C(=O)OCCCBr

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.49
CTSK P43235 3/20 0.46
ANPEP P15144 1/20 0.40
F2 P00734 3/20 0.37
PLG P00747 2/20 0.37
PLAT P00750 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
LMNA P02545 1/20 0.37
LNPEP Q9UIQ6 2/20 0.37
ERAP2 Q6P179 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36

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
SCHEMBL4428775 0.87 ACE (0.53) ACECTSKANPEPCHRNB2CHRNB4
SCHEMBL6064942 0.83 ANPEP (0.42) ACEANPEPF2PLGPLAT
SCHEMBL6064398 0.83 ACE (0.70) ACECTSKF2PLGPLAT
SCHEMBL6237696 0.72 ACE (0.58) ACEANPEPLMNALNPEPERAP2
SCHEMBL6240311 0.72 ACE (0.58) ACEANPEPLMNALNPEPERAP2
SCHEMBL27458051 0.72 ACE (0.58) ACEANPEPLMNALNPEPERAP2
SCHEMBL5720686 0.71 ACE (0.52) ACEANPEPLNPEPERAP2ERAP1
SCHEMBL5720685 0.71 ACE (0.52) ACEANPEPLNPEPERAP2ERAP1
SCHEMBL7267746 0.70 ACE (0.65) ACEANPEPF2PLGPLAT
SCHEMBL661267 0.70 ACE (0.65) ACEANPEPF2PLGPLAT

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
EP-1635816-A1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Nicox S.A. (FR) 2006-03-22 EP disclosed
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