SCHEMBL27723348

SCHEMBL27723348

CC(=O)Oc1c(CC(C)C)nc(CC(C)C)c(CN)c1-c1ccc(CN)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.50
DPP8 Q6V1X1 3/20 0.50
DPP9 Q86TI2 2/20 0.49

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
SCHEMBL27723349 0.94 DPP4 (0.47) DPP4DPP8DPP9
SCHEMBL5243544 0.91 DPP4 (0.61) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27643578 0.90 DPP4 (0.57) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5242914 0.90 DPP4 (0.62) DPP4DPP8DPP9
SCHEMBL5239109 0.85 DPP4 (0.58) DPP4DPP8DPP9
SCHEMBL27702869 0.85 DPP4 (0.40) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5738691 0.82 DPP4 (0.67) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28761372 0.79 DPP4 (0.55) DPP4DPP8DPP9
SCHEMBL27702867 0.79 DPP4 (0.55) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL27643745 0.78 DPP4 (0.54) DPP4DPP8DPP9

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
CN-101166725-A Pyridylacetic acid compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-04-23 CN claimed
CN-101166725-A Pyridylacetic acid compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-04-23 CN disclosed