SCHEMBL5237492

SCHEMBL5237492

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.42
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 2/20 0.36

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 SCHEMBL5231311 0.99 DPP4 (0.43) DPP4ALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL5235033 0.91 DPP4 (0.44) DPP4MAPTMAPK1AAK1
Hydrochloric Acid SCHEMBL5234616 0.89 DPP4 (0.43) DPP4ALDH1A1MAPTHPGDMAPK1
Hydrochloric Acid SCHEMBL5239297 0.89 DPP4 (0.43) DPP4ALDH1A1MAPTHPGDMAPK1
Hydrochloric Acid SCHEMBL5237649 0.88 DPP4 (0.42) DPP4
SCHEMBL7005880 0.87 DPP4 (0.41) DPP4ALDH1A1MAPTMAPK1
Hydrochloric Acid SCHEMBL5234677 0.87 DPP4 (0.46) DPP4ALDH1A1
Hydrochloric Acid SCHEMBL5238860 0.86 DPP4 (0.42) DPP4ALDH1A1MAPTMAPK1L3MBTL1
Hydrochloric Acid SCHEMBL5239225 0.86 DPP4 (0.41) DPP4ALDH1A1MAPTMAPK1
SCHEMBL5238915 0.85 DPP4 (0.52) DPP4ALDH1A1LMNAHPGDMAPK1

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