SCHEMBL5237142

SCHEMBL5237142

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.41
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPK8 P45983 1/20 0.33

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 SCHEMBL5233326 0.99 DPP4 (0.41) DPP4LMNAKDM4EPOLBMAPK1
Hydrochloric Acid SCHEMBL5239932 0.90 DPP4 (0.51) DPP4MAPK8
SCHEMBL5234970 0.88 DPP4 (0.35) DPP4LMNAKDM4EPOLBMAPK1
SCHEMBL6107482 0.86 NR1H3 (0.34) DPP4LMNAKDM4EPOLBMAPK1
SCHEMBL5238915 0.86 DPP4 (0.52) DPP4LMNAKDM4EMAPK1
Hydrochloric Acid SCHEMBL354661 0.85 DPP4 (0.53) DPP4LMNAKDM4EMAPK1
Hydrochloric Acid SCHEMBL5237517 0.85 DPP4 (0.47) DPP4
Hydrochloric Acid SCHEMBL5232974 0.85 DPP4 (0.43) DPP4LMNAKDM4EMAPK1
Hydrochloric Acid SCHEMBL5236380 0.84 DPP4 (0.44) DPP4
Hydrochloric Acid SCHEMBL5234188 0.83 DPP4 (0.40) 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