SCHEMBL4747560

SCHEMBL4747560

CC(C)C1CNCCN1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
XIAP P98170 1/20 0.30
BIRC2 Q13490 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2764648 0.89 DPP4 (0.36) DPP4DPP7TDP1CHRM5CHRM3
SCHEMBL27748297 0.81 TDP1 (0.37) DPP4DPP7TDP1CHRM5CHRM3
Hydrochloric Acid SCHEMBL3182984 0.77 DPP4 (0.34) DPP4CHRM5CHRM3KDM4E
Hydrochloric Acid SCHEMBL3182976 0.77 DPP4 (0.34) DPP4CHRM5CHRM3KDM4E
SCHEMBL28544902 0.76 SIGMAR1 (0.34)
SCHEMBL27284737 0.75 TDP1 (0.43) DPP4DPP7TDP1
SCHEMBL27067619 0.75 TDP1 (0.43) DPP4DPP7TDP1
SCHEMBL6428865 0.75 KDM4E (0.31) KDM4E
SCHEMBL787532 0.75 DPP4 (0.46) DPP4DPP7CHRM5CHRM3KDM4E
SCHEMBL20169506 0.75 L3MBTL1 (0.35) DPP4DPP7

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
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed