SCHEMBL5238519

SCHEMBL5238519

CCCCOc1c(CN(C(=O)O)C(C)(C)C)n(CC(C)C)c(=O)c2ccc(-c3nc(C(N)=O)cs3)cc12

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.36
BTK Q06187 1/20 0.32

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
SCHEMBL5237726 0.90 DPP4 (0.36) DPP4
SCHEMBL6109020 0.88 DPP4 (0.34) DPP4
SCHEMBL300337 0.87 DPP4 (0.46) DPP4
SCHEMBL6107138 0.86 DPP4 (0.37) DPP4
Hydrochloric Acid SCHEMBL5237635 0.86 DPP4 (0.45) DPP4
SCHEMBL5237990 0.85 DPP4 (0.50) DPP4
SCHEMBL5234421 0.85 DPP4 (0.39) DPP4
SCHEMBL5234423 0.84 DPP4 (0.35) DPP4
SCHEMBL6108223 0.84 BTK (0.33) DPP4BTK
SCHEMBL6107876 0.83 DPP4 (0.43) 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-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed