SCHEMBL8358947

SCHEMBL8358947

CN[C@H]1CCCN2CCC[C@@H](C(=O)O)N2C1=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.53
MME P08473 3/20 0.53
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
ITGA4 P13612 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
REN P00797 2/20 0.33
THRB P10828 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8279385 0.88 ACE (0.42) ACEMME
SCHEMBL14865487 0.85 ACE (0.41) ACEMME
SCHEMBL7713379 0.85 ACE (0.56) ACEMMERENLMNAHSD17B10
SCHEMBL8280295 0.84 ACE (0.43) ACEMME
SCHEMBL8280285 0.84 ACE (0.43) ACEMME
SCHEMBL22175815 0.81 ACE (0.53) ACEMMEREN
SCHEMBL22175774 0.78 ACE (0.46) ACEMMERENLMNAHSD17B10
SCHEMBL3729224 0.78 ACE (0.60) ACEMME
SCHEMBL8280287 0.78 ACE (0.38) ACEMME
SCHEMBL645665 0.77 ACE (0.63) ACEMMEALDH1A1

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
US-6509330-B2 Angiotensin converting enzyme (ACE); neutral endopeptidase (NEP); containing a dipeptide derived from an amino acid, or a conformationally restricted dipeptide mimic BRISTOL-MYERS SQUIBB COMPANY 2003-01-21 US disclosed