SCHEMBL5235494

SCHEMBL5235494

COC(=O)c1ccc2c(=O)n(CC(C)C)c(CN)c(-c3cccc(F)c3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.65

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 SCHEMBL6106188 0.99 DPP4 (0.66) DPP4
SCHEMBL7561444 0.90 DPP4 (0.66) DPP4
Hydrochloric Acid SCHEMBL5236521 0.89 DPP4 (0.81) DPP4
Hydrochloric Acid SCHEMBL5233660 0.89 DPP4 (0.80) DPP4
Hydrochloric Acid SCHEMBL5240995 0.89 DPP4 (0.66) DPP4
Hydrochloric Acid SCHEMBL5230519 0.89 DPP4 (0.81) DPP4
Hydrochloric Acid SCHEMBL27581835 0.86 DPP4 (0.67) DPP4
SCHEMBL5240937 0.85 DPP4 (0.47) DPP4
Hydrochloric Acid SCHEMBL5237730 0.84 DPP4 (0.62) DPP4
Hydrochloric Acid SCHEMBL5235393 0.84 DPP4 (0.67) 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