SCHEMBL7448400

SCHEMBL7448400

CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.54
ACE P12821 6/20 0.51
ACE2 Q9BYF1 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
DPP4 P27487 4/20 0.48
DPP8 Q6V1X1 4/20 0.48
DPP9 Q86TI2 2/20 0.48
DPP7 Q9UHL4 2/20 0.48
FPR2 P25090 1/20 0.46
LMNA P02545 1/20 0.46
FAP Q12884 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7381466 0.85 ACE (0.67) ACEACE2LMNA
SCHEMBL18088488 0.84 ACE (0.60) ACEACE2L3MBTL1ATMLMNA
SCHEMBL7437025 0.84 DPP4 (0.52) PREPACEACE2L3MBTL1ATM
SCHEMBL9450506 0.83 DPP4 (0.50) PREPACEACE2DPP4DPP8
SCHEMBL7444796 0.83 DPP4 (0.52) ACEACE2DPP4DPP8DPP9
SCHEMBL7506781 0.81 DPP4 (0.50) PREPACEACE2L3MBTL1ATM
SCHEMBL7445441 0.80 DPP4 (0.51) PREPACEACE2L3MBTL1ATM
SCHEMBL9450539 0.79 DPP4 (0.47) PREPACEACE2DPP4DPP8
SCHEMBL7435591 0.79 DPP4 (0.47) PREPACEACE2L3MBTL1ATM
SCHEMBL9153419 0.79 ACE (0.54) ACEL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748333-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2000-05-10 EP disclosed
EP-0748333-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1996-12-18 EP disclosed
WO-1995023809-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO disclosed