SCHEMBL11018731

SCHEMBL11018731

CCc1cc(CC)c(N2C(=O)c3cccc(C(N)=O)c3C2=O)c(CC)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 4/20 0.53
▸ ANPEP P15144 3/20 0.53
▸ PARP1 P09874 6/20 0.41
▸ PARP2 Q9UGN5 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ TYMS P04818 2/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 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
SCHEMBL11017426 0.90 DPP4 (0.66) DPP4ANPEPPARP1PARP2LMNA
SCHEMBL11019781 0.89 DPP4 (0.54) DPP4ANPEPLMNATYMSCTDSP1
SCHEMBL11019967 0.88 DPP4 (0.53) DPP4ANPEPLMNAHTTTYMS
SCHEMBL11019298 0.86 DPP4 (0.52) DPP4ANPEPHTTPDK2CTDSP1
SCHEMBL11018426 0.84 DPP4 (0.59) DPP4ANPEPPARP1PARP2LMNA
SCHEMBL11016509 0.80 DPP4 (0.55) DPP4ANPEPPARP1PARP2LMNA
SCHEMBL11019088 0.79 DPP4 (0.54) DPP4ANPEPLMNATYMSCTDSP1
SCHEMBL11018217 0.79 DPP4 (0.54) DPP4ANPEPTYMSCTDSP1CRHBP
SCHEMBL11022146 0.78 DPP4 (0.68) DPP4ANPEPLMNATYMSCTDSP1
SCHEMBL11022176 0.77 DPP4 (0.63) DPP4ANPEPLMNAHTTPDK2

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-0152021-A2 Phthalimide derivatives, their preparation and their use as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1985-08-21 — — EP disclosed
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