SCHEMBL7362079

SCHEMBL7362079

CC(C)C[C@H](N)[C@H](O)C(F)(F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.42
ANPEP P15144 5/20 0.39
DNPEP Q9ULA0 1/20 0.39
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
LAP3 P28838 6/20 0.35
CACNA2D1 P54289 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
ERAP1 Q9NZ08 1/20 0.32
SLC1A1 P43005 1/20 0.32
PEPD P12955 1/20 0.31
XPNPEP1 Q9NQW7 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL7362077 1.00 SLC7A5 (0.42) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL10163720 0.80 SLC1A3 (0.32) SLC1A3SLC1A2SLC1A1
SCHEMBL18774945 0.77 TSHR (0.38) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL18774942 0.77 TSHR (0.38) SLC7A5ANPEPDNPEPSLC1A3SLC1A2
SCHEMBL891958 0.75 RNPEP (0.38) SLC7A5ANPEPSLC1A3SLC1A2LAP3
Hydrochloric Acid SCHEMBL8054309 0.75 TSHR (0.36) SLC7A5ANPEPDNPEPLAP3ERAP1
SCHEMBL8056306 0.74 SLC7A5 (0.36) SLC7A5
SCHEMBL18228767 0.74 SLC7A5 (0.36) SLC7A5
SCHEMBL10355433 0.73 ANPEP (0.35) SLC7A5ANPEPDNPEPLAP3ERAP1
SCHEMBL10354928 0.73 ANPEP (0.35) SLC7A5ANPEPDNPEPLAP3ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389535-A1 RENIN INHIBITORS, PROCESSES FOR PREPARING THEM, METHODS FOR USING THEM, AND COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1990-10-03 EP disclosed
WO-1989007610-A1 RENIN INHIBITORS CONTAINING alpha-HETEROATOM AMINO ACIDS WARNER-LAMBERT COMPANY (US) 1989-08-24 WO disclosed
WO-1989003841-A1 RENIN INHIBITORS, PROCESSES FOR PREPARING THEM, METHODS FOR USING THEM, AND COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1989-05-05 WO disclosed
WO-1989003820-A1 BRANCHED BACKBONE RENIN INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-05-05 WO disclosed