SCHEMBL10825552

SCHEMBL10825552

N[C@H](CCSCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.65
SLC1A1 P43005 1/20 0.65
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.51
DPP8 Q6V1X1 2/20 0.51
DPP7 Q9UHL4 2/20 0.51
ANPEP P15144 1/20 0.49
DPP4 P27487 1/20 0.47
DPP9 Q86TI2 1/20 0.47
FOLH1 Q04609 3/20 0.47
TGM2 P21980 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL10825548 1.00 SLC1A3 (0.65) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825491 0.93 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825490 0.93 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL15372902 0.89 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL10825360 0.89 SLC1A3 (0.62) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL8390660 0.87 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL29401172 0.87 SLC1A3 (0.78) SLC1A3SLC1A1LMNASMN1; SMN2HTT
Sulfuric Acid SCHEMBL5509950 0.84 SLC1A3 (0.58) SLC1A3SLC1A1LMNASMN1; SMN2HTT
Sulfuric Acid SCHEMBL5509948 0.84 SLC1A3 (0.58) SLC1A3SLC1A1LMNASMN1; SMN2HTT
SCHEMBL2037306 0.84 SLC1A3 (0.70) SLC1A3SLC1A1LMNASMN1; SMN2HTT

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-0061186-B1 DIPEPTIDES CONTAINING THIALYSINE AND HOMOLOGS AS ANTIHYPERTENSIVES MERCK & CO. INC. (US) 1986-05-21 EP disclosed
US-4512979-A Dipeptides containing thialysine and related amino acids as antihypertensives MERCK & CO., INC. (US) 1985-04-23 US disclosed
EP-0061186-A1 Dipeptides containing thialysine and homologs as antihypertensives MERCK & CO. INC. (US) 1982-09-29 EP disclosed