SCHEMBL5735685

SCHEMBL5735685

N[C@@H](Cc1cscn1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.42
DPP8 Q6V1X1 2/20 0.42
DPP9 Q86TI2 2/20 0.42
OPRD1 P41143 1/20 0.38
GPR88 Q9GZN0 1/20 0.33
GPR142 Q7Z601 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PKM P14618 1/20 0.32
CAPN1 P07384 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL7299950 0.82 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3591815 0.79 DPP4 (0.41) DPP4DPP8DPP9OPRD1GPR88
Trifluoroacetic Acid SCHEMBL5735676 0.79 GRB2 (0.46) DPP4DPP8DPP9OPRD1GPR142
SCHEMBL21299168 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3783139 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL19699150 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL2736355 0.79 DPP4 (0.45) DPP4DPP8DPP9OPRD1GPR88
SCHEMBL3136686 0.78 DPP4 (0.43) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL7276844 0.77 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88
Hydrochloric Acid SCHEMBL1631417 0.77 DPP4 (0.44) DPP4DPP8DPP9OPRD1GPR88

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-0933379-B1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO (JP) 2006-03-22 EP disclosed
US-6319902-B1 TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT SHIONOGI & CO., LTD. (JP) 2001-11-20 US disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 EP disclosed