SCHEMBL7326774

SCHEMBL7326774

NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 4/20 0.70
DPP4 P27487 3/20 0.70
DPP7 Q9UHL4 2/20 0.61
ACE P12821 4/20 0.58
PRSS8 Q16651 2/20 0.52
FKBP1A P62942 3/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ACE2 Q9BYF1 1/20 0.49
PREP P48147 1/20 0.48

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
SCHEMBL7264291 0.96 DPP8 (0.66) DPP8DPP4DPP7ACEPRSS8
Hydrochloric Acid SCHEMBL7264261 0.96 DPP8 (0.65) DPP8DPP4DPP7ACEPRSS8
SCHEMBL4955191 0.93 DPP8 (0.71) DPP8DPP4DPP7ACEPRSS8
SCHEMBL9040814 0.93 DPP8 (0.71) DPP8DPP4DPP7ACEPRSS8
SCHEMBL9040522 0.90 DPP4 (0.67) DPP8DPP4DPP7ACEACE2
SCHEMBL9040510 0.90 DPP4 (0.67) DPP8DPP4DPP7ACEACE2
SCHEMBL11200372 0.88 DPP4 (0.60) DPP8DPP4DPP7ACEPRSS8
Methanesulfonamide SCHEMBL11099377 0.88 DPP8 (0.65) DPP8DPP4DPP7ACEPRSS8
SCHEMBL6167239 0.85 DPP4 (0.73) DPP8DPP4DPP7ACEPRSS8
Trifluoroacetic Acid SCHEMBL11102587 0.85 DPP4 (0.60) DPP8DPP4DPP7ACEPRSS8

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
EP-0279750-B1 AMINOACID DERIVATIVES AS ANTIHYPERTENSIVES Asahi Breweries, Ltd. (JP) 1993-01-20 EP disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 EP disclosed