SCHEMBL8302985

SCHEMBL8302985

CC(CCc1ccccc1)NC(C)C(=O)N1C(C(=O)O)CC2CCCC21

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.76
MEN1 O00255 2/20 0.76
KMT2A Q03164 2/20 0.76
CYP3A4 P08684 1/20 0.76
ALOX15 P16050 1/20 0.76
LMNA P02545 2/20 0.73
USP2 O75604 1/20 0.73

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
SCHEMBL8151713 1.00 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10014390 1.00 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL10014395 1.00 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
SCHEMBL12602832 0.98 ACE (0.76) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL9438804 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL4733176 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL10590419 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL9594279 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL21990787 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15
Ramiprilat SCHEMBL5490942 0.90 ACE (0.82) ACEMEN1KMT2ACYP3A4ALOX15

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