SCHEMBL4428771

SCHEMBL4428771

CCOC(=O)[C@H](CCc1ccccc1)N[C@H]([C]=O)CCCCN

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.51
ANPEP P15144 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ABCB11 O95342 1/20 0.43
LNPEP Q9UIQ6 2/20 0.43
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CTSC P53634 1/20 0.41
HPRT1 P00492 1/20 0.41

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
SCHEMBL6064942 0.87 ANPEP (0.42) ACEANPEPLMNALNPEPERAP2
SCHEMBL11113260 0.87 ACE (0.53) ACEANPEPLNPEPERAP2ERAP1
SCHEMBL1133733 0.87 ACE (0.53) ACEANPEPLNPEPERAP2ERAP1
SCHEMBL27458051 0.85 ACE (0.58) ACEANPEPLMNASMN1; SMN2ABCB11
SCHEMBL6240311 0.85 ACE (0.58) ACEANPEPLMNASMN1; SMN2ABCB11
SCHEMBL6237696 0.85 ACE (0.58) ACEANPEPLMNASMN1; SMN2ABCB11
SCHEMBL4428775 0.82 ACE (0.53) ACEANPEPLMNASMN1; SMN2ABCB11
SCHEMBL503523 0.79 SMN1; SMN2 (0.53) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL503522 0.79 SMN1; SMN2 (0.53) ACELMNASMN1; SMN2ABCB11MEN1
SCHEMBL2676753 0.79 SMN1; SMN2 (0.53) ACELMNASMN1; SMN2ABCB11MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1635816-B1 ENALAPRIL-NITROXYDERIVATIVES DERIVATIVES AND RELATED COMPOUNDS AS ACE INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES NICOX SA (FR) 2009-03-04 EP disclosed
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