SCHEMBL15840393

SCHEMBL15840393

C[C@H](CCC(=O)NCC(N)=O)NC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
ALDH1A1 P00352 1/20 0.38
ECE1 P42892 4/20 0.34
NOD1 Q9Y239 1/20 0.33
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33
GLO1 Q04760 1/20 0.32

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
SCHEMBL15840458 0.82 NOD1 (0.43) DPP4DPP8DPP9ALDH1A1ECE1
SCHEMBL21724631 0.81 DPP4 (0.51) DPP4DPP8DPP9ECE1
SCHEMBL21724629 0.81 DPP4 (0.51) DPP4DPP8DPP9ECE1
Hydrochloric Acid SCHEMBL21724239 0.80 DPP4 (0.50) DPP4DPP8DPP9ECE1
Hydrochloric Acid SCHEMBL21724238 0.80 DPP4 (0.50) DPP4DPP8DPP9ECE1
SCHEMBL30910782 0.79 SLC1A1 (0.43) DPP4DPP8DPP9ALDH1A1ECE1
Hydrochloric Acid SCHEMBL30910803 0.78 SLC1A1 (0.42) DPP4DPP8DPP9ALDH1A1ECE1
SCHEMBL757140 0.74 CA12 (0.33) DPP4DPP8DPP9ECE1
SCHEMBL15840382 0.74 DPP7 (0.39) ECE1NOD1
SCHEMBL15003955 0.73 ALDH1A1 (0.50) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed