SCHEMBL5240646

SCHEMBL5240646

CC(C)Cn1c(CN)c(-c2cccs2)c2cc(OCC(N)=O)ccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73

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
Hydrochloric Acid SCHEMBL6107818 0.99 DPP4 (0.74) DPP4
SCHEMBL5232548 0.89 DPP4 (0.60) DPP4
SCHEMBL6107959 0.86 DPP4 (0.57) DPP4
SCHEMBL7001500 0.85 DPP4 (0.59) DPP4
SCHEMBL299831 0.85 DPP4 (0.98) DPP4
Hydrochloric Acid SCHEMBL5238255 0.85 DPP4 (0.59) DPP4
SCHEMBL5232555 0.84 DPP4 (0.56) DPP4
Hydrochloric Acid SCHEMBL5234690 0.84 DPP4 (1.00) DPP4
Water SCHEMBL465005 0.84 DPP4 (0.96) DPP4
Hydrochloric Acid SCHEMBL5234017 0.83 DPP4 (0.72) 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 disclosed