SCHEMBL5238967

SCHEMBL5238967

CCCCOc1c(CN)n(CC(C)C)c(=O)c2ccc(-c3nc(OC(=O)O)cs3)cc12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.42

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
SCHEMBL5237323 0.94 DPP4 (0.44) DPP4
SCHEMBL300205 0.89 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL5231118 0.88 DPP4 (0.45) DPP4
SCHEMBL300337 0.87 DPP4 (0.46) DPP4
Hydrochloric Acid SCHEMBL5237635 0.86 DPP4 (0.45) DPP4
Hydrochloric Acid SCHEMBL5231815 0.86 DPP4 (0.43) DPP4
SCHEMBL299730 0.85 DPP4 (0.44) DPP4
SCHEMBL300196 0.84 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL5235399 0.84 DPP4 (0.43) DPP4
Hydrochloric Acid SCHEMBL5240590 0.84 DPP4 (0.45) DPP4

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
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP claimed