SCHEMBL10801006

SCHEMBL10801006

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
BHMT Q93088 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL24270547 0.87 DPP4 (0.44) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL11119406 0.85 DPP4 (0.43) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL3341843 0.83 LTA4H (0.49) DPP4DPP8DPP9BHMTSLC7A5
SCHEMBL6975900 0.83 DPP4 (0.42) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL10494263 0.83 LTA4H (0.49) DPP4DPP8DPP9BHMTSLC7A5
SCHEMBL3341838 0.83 LTA4H (0.49) DPP4DPP8DPP9BHMTSLC7A5
SCHEMBL4957790 0.83 LTA4H (0.49) DPP4DPP8DPP9BHMTSLC7A5
SCHEMBL2807590 0.83 LTA4H (0.49) DPP4DPP8DPP9BHMTSLC7A5
SCHEMBL10453448 0.82 DPP4 (0.41) DPP4DPP8DPP9BHMTS1PR1
SCHEMBL10453944 0.82 DPP4 (0.41) DPP4DPP8DPP9BHMTS1PR1

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-0242896-A2 Novel intermediates useful in the production of gem-diaminoalkane derived sweeteners CUMBERLAND PACKING CORPORATION (US) 1987-10-28 EP disclosed
US-4571345-A 1,1-Diaminoalkane derived sweeteners CUMBERLAND PACKING CORP. (US) 1986-02-18 US disclosed