SCHEMBL6600988

SCHEMBL6600988

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
DPP4 P27487 13/20 0.42
DPP7 Q9UHL4 7/20 0.40
DPP8 Q6V1X1 6/20 0.40
DPP9 Q86TI2 5/20 0.40
FAP Q12884 3/20 0.40
PREP P48147 2/20 0.40
PITRM1 Q5JRX3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL4685372 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL4678731 0.98 L3MBTL3 (0.46) L3MBTL3L3MBTL1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6601198 0.98 L3MBTL3 (0.46) L3MBTL3L3MBTL1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL4679624 0.98 L3MBTL3 (0.46) L3MBTL3L3MBTL1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL6368323 0.98 L3MBTL3 (0.46) L3MBTL3L3MBTL1DPP4DPP7DPP8
Hydrochloric Acid SCHEMBL5144762 0.88 L3MBTL3 (0.45) L3MBTL3L3MBTL1DPP4DPP7DPP8
SCHEMBL5891871 0.87 L3MBTL3 (0.49) L3MBTL3L3MBTL1DPP4DPP7DPP8
SCHEMBL4678714 0.85 DPP4 (0.55) DPP4DPP7DPP8DPP9
SCHEMBL6600066 0.85 DPP4 (0.55) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5142506 0.84 L3MBTL3 (0.42) L3MBTL3L3MBTL1DPP4DPP7DPP8

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