SCHEMBL7444796

SCHEMBL7444796

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.52
DPP8 Q6V1X1 6/20 0.52
DPP9 Q86TI2 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
FAP Q12884 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
ACE2 Q9BYF1 3/20 0.47
AVPR1A P37288 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ACE P12821 3/20 0.46

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
SCHEMBL7499435 0.90 ACE (0.49) DPP4DPP8DPP9DPP7FAP
SCHEMBL7437025 0.87 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL9450506 0.85 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7448400 0.83 PREP (0.54) DPP4DPP8DPP9DPP7FAP
SCHEMBL7445441 0.81 DPP4 (0.51) DPP4DPP8DPP9DPP7FAP
SCHEMBL7502395 0.81 ACE (0.56) FAPACE2ACE
SCHEMBL7500726 0.81 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL7506781 0.81 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL9450539 0.80 DPP4 (0.47) DPP4DPP8DPP9DPP7FAP
SCHEMBL9407289 0.80 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP

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