SCHEMBL9707637

SCHEMBL9707637

N[C@@H](CC1OCCS1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
GGT1 P19440 2/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRIN2D O15399 3/20 0.34
GRIN3B O60391 3/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2A Q12879 3/20 0.34
GRIN2B Q13224 3/20 0.34
GRIN2C Q14957 3/20 0.34
GRIN3A Q8TCU5 3/20 0.34

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
SCHEMBL25660435 0.74 PTGS1 (0.41) PTGS1SLC7A11GRIN2DGRIN3BGRIN1
SCHEMBL10514319 0.74 PTGS1 (0.41) PTGS1SLC7A11GRIN2DGRIN3BGRIN1
SCHEMBL7880579 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1711638 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7366756 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7888124 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7888410 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1711635 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7887892 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7886396 0.70 USP2 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO claimed
WO-1992007845-A1 DERIVATIVES OF AMINO ACIDS AS INHIBITORS OF RENIN, METHODS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-05-14 WO disclosed