SCHEMBL6064398

SCHEMBL6064398

NCCCC[C@@H](C=O)NC(CCc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.70
MME P08473 1/20 0.50
CPB2 Q96IY4 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
CTSK P43235 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CPA1 P15085 1/20 0.42
CPA2 P48052 1/20 0.42
CPA4 Q9UI42 1/20 0.42
ITGB3 P05106 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
SCHEMBL4428775 0.87 ACE (0.53) ACECTSKCHRNB2CHRNB4CHRNA3
SCHEMBL5870137 0.86 ACE (0.65) ACEMMECPB2ERAP2ERAP1
SCHEMBL661267 0.86 ACE (0.65) ACEMMECPB2ERAP2ERAP1
SCHEMBL7267746 0.86 ACE (0.65) ACEMMECPB2ERAP2ERAP1
SCHEMBL6064947 0.83 ACE (0.49) ACECPB2ERAP2ERAP1LNPEP
SCHEMBL1133733 0.80 ACE (0.53) ACEMMECPB2ERAP2ERAP1
SCHEMBL11113260 0.80 ACE (0.53) ACEMMECPB2ERAP2ERAP1
SCHEMBL8436260 0.79 ACE (0.73) ACEMMEMMP2
SCHEMBL16566049 0.78 F2 (0.56) CPB2CTSKF2PLGPLAT
SCHEMBL6237696 0.78 ACE (0.58) ACEMMEERAP2ERAP1LNPEP

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