SCHEMBL5566101

SCHEMBL5566101

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.47
SLC1A3 P43003 3/20 0.37
SLC1A2 P43004 3/20 0.37
ANPEP P15144 5/20 0.36
RNPEP Q9H4A4 2/20 0.36
DNPEP Q9ULA0 1/20 0.36
CAPN1 P07384 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
LAP3 P28838 4/20 0.32
ERAP1 Q9NZ08 1/20 0.32
SLC1A1 P43005 2/20 0.32
SCN9A Q15858 3/20 0.31
LARS1 Q9P2J5 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10632147 1.00 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL29737787 1.00 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
Hydrochloric Acid SCHEMBL5566100 0.98 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL9038953 0.79 GRIN2D (0.50) CAPN1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8935161 0.79 HTT (0.48) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL7592393 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8758344 0.78 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27783524 0.78 ALDH1A1 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4454545 0.78 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ANPEPRNPEP
SCHEMBL13144609 0.77 SLC7A5 (0.56) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803731-A1 METHOD OF PRODUCING PARTIAL PEPTIDE OF ENOLASE PROTEIN FROM PLASMODIUM FALCIPARUM National University Corporation Gunma University (JP) 2007-07-04 EP disclosed
EP-0589949-B1 NEW PEPTIDES (DIDEMNINS), THEIR PREPARATION AND THEIR USE BASF AG (DE) 1996-08-21 EP disclosed
US-5504189-A HEXAPEPTIDES; ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed
WO-1993000362-A1 NEW PEPTIDES (DIDEMNINS), THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1993-01-07 WO disclosed
US-4783480-A 6-keto-prostaglandin E1 derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-08 US disclosed