SCHEMBL5548804

SCHEMBL5548804

N#Cc1ccc(NCNCC(=O)N2CCC[C@H]2C#N)nc1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.85
DPP7 Q9UHL4 2/20 0.85
DPP8 Q6V1X1 2/20 0.85
DPP9 Q86TI2 1/20 0.58

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
SCHEMBL160102 0.92 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL29416829 0.92 DPP4 (1.00) DPP4DPP7DPP8
SCHEMBL220478 0.92 DPP4 (1.00) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL299895 0.91 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL356225 0.91 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL356224 0.91 DPP4 (0.98) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1069087 0.84 DPP4 (0.86) DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL1069089 0.84 DPP4 (0.86) DPP4DPP7DPP8
SCHEMBL4593663 0.84 DPP4 (0.85) DPP4DPP7DPP8
SCHEMBL7339543 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9

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
US-7230002-B2 Dipeptidyl peptidase IV inhibitors; processes for their preparation and compositions thereof GLENMARK PHARMACEUTICALS LTD. (IN) 2007-06-12 US claimed