SCHEMBL7003534

SCHEMBL7003534

CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(=O)NCC(F)(F)F)ccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.76

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 SCHEMBL5235334 0.99 DPP4 (0.77) DPP4
Hydrochloric Acid SCHEMBL5236525 0.88 DPP4 (0.82) DPP4
Hydrochloric Acid SCHEMBL5240355 0.87 DPP4 (0.87) DPP4
Hydrochloric Acid SCHEMBL5238611 0.86 DPP4 (0.79) DPP4
Hydrochloric Acid SCHEMBL5236034 0.86 DPP4 (0.79) DPP4
Hydrochloric Acid SCHEMBL5234155 0.86 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL5233871 0.83 DPP4 (1.00) DPP4
SCHEMBL299861 0.83 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL5234642 0.83 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL5234838 0.83 DPP4 (0.86) 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 2 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-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 WO disclosed