SCHEMBL7500726

SCHEMBL7500726

O=[C][C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.50
DPP8 Q6V1X1 6/20 0.50
DPP7 Q9UHL4 4/20 0.50
DPP9 Q86TI2 3/20 0.50
FAP Q12884 2/20 0.47
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F2 P00734 2/20 0.43
PRSS1 P07477 1/20 0.43
ACE P12821 4/20 0.42
PREP P48147 2/20 0.42
ACE2 Q9BYF1 2/20 0.42
BCHE P06276 1/20 0.41

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
SCHEMBL7444796 0.81 DPP4 (0.52) DPP4DPP8DPP7DPP9FAP
SCHEMBL7445441 0.80 DPP4 (0.51) DPP4DPP8DPP7DPP9FAP
SCHEMBL9450506 0.79 DPP4 (0.50) DPP4DPP8DPP7DPP9FAP
SCHEMBL7506781 0.79 DPP4 (0.50) DPP4DPP8DPP7DPP9FAP
SCHEMBL9407289 0.78 DPP4 (0.59) DPP4DPP8DPP7DPP9FAP
SCHEMBL7501594 0.78 DPP4 (0.49) DPP4DPP8DPP7DPP9FAP
SCHEMBL7437025 0.77 DPP4 (0.52) DPP4DPP8DPP7DPP9FAP
SCHEMBL7448400 0.77 PREP (0.54) DPP4DPP8DPP7DPP9FAP
SCHEMBL2182020 0.77 DPP4 (0.80) DPP4DPP8DPP7DPP9FAP
SCHEMBL2195630 0.77 DPP4 (0.80) DPP4DPP8DPP7DPP9FAP

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