SCHEMBL6600870

SCHEMBL6600870

CC(C)C[C@H](N)C(=O)N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC7A5 Q01650 1/20 0.36
GAA P10253 1/20 0.36
F10 P00742 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
SCHEMBL4679523 1.00 DPP4 (0.44) DPP4DPP8DPP9DPP7L3MBTL3
SCHEMBL17152616 0.94 DPP4 (0.44) DPP4DPP8DPP9DPP7L3MBTL3
SCHEMBL17152548 0.88 DPP4 (0.49) DPP4DPP8DPP9DPP7L3MBTL3
SCHEMBL17152212 0.87 DPP4 (0.48) DPP4DPP8DPP9DPP7KDM4E
SCHEMBL5981311 0.85 L3MBTL3 (0.46) DPP8L3MBTL3L3MBTL1HRH2HRH1
SCHEMBL13995145 0.85 DPP4 (0.45) DPP4DPP8DPP9DPP7HRH2
SCHEMBL20413342 0.85 DPP4 (0.45) DPP4DPP8DPP9DPP7HRH2
Hydrochloric Acid SCHEMBL5891530 0.84 DPP8 (0.48) DPP8DPP9DPP7L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL5142564 0.84 L3MBTL3 (0.45) DPP8L3MBTL3L3MBTL1HRH2HRH1
SCHEMBL17152285 0.84 DPP8 (0.53) DPP4DPP8DPP9DPP7L3MBTL3

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-1409479-A2 1-GLYCINYL-4-(1-METHYLPIPERIDIN-4-YL)PIPERAZINES AND -PIPERIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2003010160-A2 1-GLYCINYL-4 (METHYLPIPERIDIN-4-YL) PIPERAZINES AND -PIPERRIDINES AS FACTOR XA ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-02-06 WO disclosed