SCHEMBL7560342

SCHEMBL7560342

CC(C)Cn1c(CN)c(-c2ccc(F)cc2)c2cc(OCc3ccccc3)ccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.68

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 SCHEMBL5233551 0.99 DPP4 (0.67) DPP4
SCHEMBL5239105 0.91 DPP4 (0.57) DPP4
SCHEMBL5234477 0.91 DPP4 (0.55) DPP4
Hydrochloric Acid SCHEMBL5234974 0.91 DPP4 (0.71) DPP4
Hydrochloric Acid SCHEMBL5239177 0.90 DPP4 (0.65) DPP4
Hydrochloric Acid SCHEMBL5234969 0.90 DPP4 (0.69) DPP4
Hydrochloric Acid SCHEMBL5232922 0.89 DPP4 (0.76) DPP4
SCHEMBL5240092 0.87 DPP4 (0.51) DPP4
SCHEMBL5234028 0.87 DPP4 (0.54) DPP4
Hydrochloric Acid SCHEMBL5232469 0.86 DPP4 (0.61) 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
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed