SCHEMBL530834

SCHEMBL530834

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.61
ANPEP P15144 8/20 0.53
RNPEP Q9H4A4 4/20 0.53
DNPEP Q9ULA0 2/20 0.53
SLC1A3 P43003 3/20 0.46
SLC1A2 P43004 3/20 0.46
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LAP3 P28838 3/20 0.41
ERAP1 Q9NZ08 1/20 0.41
SLC1A1 P43005 2/20 0.39
DPP4 P27487 2/20 0.38
LARS1 Q9P2J5 1/20 0.37
CACNA2D1 P54289 2/20 0.37
CACNB3 P54284 1/20 0.37
CACNA1C Q13936 1/20 0.37
PGR P06401 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL7100850 1.00 SLC7A5 (0.61) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL5710772 0.82 SLC7A5 (0.58) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL18425886 0.82 SLC7A5 (0.58) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL7142602 0.81 ALDH1A1 (0.55) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL1901280 0.81 ALDH1A1 (0.55) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL17943255 0.78 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL8088103 0.78 SLC7A5 (0.54) SLC7A5ANPEPRNPEPDNPEPSLC1A3
SCHEMBL9393115 0.77 SLC7A5 (0.52) SLC7A5ANPEPRNPEPDNPEPSLC1A3
Leucine SCHEMBL25241602 0.76 SLC7A5 (1.00) SLC7A5RNPEPSLC1A3SLC1A2SLC1A1
SCHEMBL2617107 0.76

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-2874997-A2 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME Drexel University (US) 2015-05-27 EP disclosed
WO-2014015157-A2 NOVEL SIGMA RECEPTOR LIGANDS AND METHODS OF MODULATING CELLULAR PROTEIN HOMEOSTASIS USING SAME PHILADELPHIA HEALTH & EDUCATION CORPORATION (US) 2014-01-23 WO disclosed
WO-2012016145-A2 MITOCHONDRIAL APOPTOSIS-INDUCED INFLAMMATION CEDARS-SINAI MEDICAL CENTER (US) 2012-02-02 WO disclosed