SCHEMBL7007716

SCHEMBL7007716

CCCCOc1c(CN)n(CC(C)C)c(=O)c2ccc(C=Cc3cscn3)cc12

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.43

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
SCHEMBL7007710 1.00 DPP4 (0.43) DPP4
Hydrochloric Acid SCHEMBL5231812 0.99 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL5231818 0.99 DPP4 (0.44) DPP4
SCHEMBL5236381 0.87 DPP4 (0.39) DPP4
SCHEMBL5236371 0.87 DPP4 (0.39) DPP4
SCHEMBL6106925 0.84 DPP4 (0.37) DPP4
SCHEMBL6106917 0.84 DPP4 (0.37) DPP4
SCHEMBL5236375 0.83 DPP4 (0.36) DPP4
SCHEMBL300189 0.81 DPP4 (0.65) DPP4
SCHEMBL300190 0.81 DPP4 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed