SCHEMBL7433766

SCHEMBL7433766

CNCC(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.42
ACE P12821 8/20 0.37
ACE2 Q9BYF1 3/20 0.37
F2 P00734 3/20 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
Sulfuric Acid SCHEMBL7430652 0.97 DPP4 (0.40) DPP4ACEACE2F2
SCHEMBL9218974 0.91 DPP4 (0.44) DPP4ACEACE2F2
SCHEMBL7444009 0.90 DPP4 (0.42) DPP4ACEACE2F2
Hydrochloric Acid SCHEMBL7415872 0.89 DPP4 (0.41) DPP4ACEACE2F2
SCHEMBL7106838 0.89 ACE (0.39) DPP4ACEACE2F2
Sulfuric Acid SCHEMBL7436108 0.86 ACE (0.37) DPP4ACEACE2F2
Sulfuric Acid SCHEMBL9554342 0.85 DPP4 (0.37) DPP4ACEACE2F2
SCHEMBL9221310 0.84 DPP4 (0.38) DPP4ACEF2
SCHEMBL9226805 0.82 DPP4 (0.38) DPP4ACEF2
SCHEMBL9223278 0.81 DPP4 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP claimed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US claimed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP claimed
EP-0685489-B1 Tripeptide antithrombotic agents LILLY CO ELI (US) 2001-12-19 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
US-5250660-A Peptide purification process ELI LILLY AND COMPANY (US) 1993-10-05 US disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed