SCHEMBL7106838

SCHEMBL7106838

CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)N(c1ccccc1)[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.39
DPP4 P27487 3/20 0.39
KLK5 Q9Y337 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
FAP Q12884 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
ELANE P08246 1/20 0.36
ACE2 Q9BYF1 2/20 0.34
CMA1 P23946 2/20 0.33
CXCR3 P49682 2/20 0.33

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 SCHEMBL7436108 0.97 ACE (0.37) ACEDPP4KLK5F2PRSS1
SCHEMBL9226805 0.93 DPP4 (0.38) ACEDPP4KLK5F2PRSS1
SCHEMBL9223179 0.92 DPP4 (0.42) ACEDPP4KLK5F2PRSS1
SCHEMBL9223250 0.92 FAP (0.35) ACEDPP4KLK5F2PRSS1
SCHEMBL9223264 0.89 FAP (0.37) ACEDPP4KLK5F2PRSS1
SCHEMBL9222276 0.89 ALDH1A1 (0.34) ACEDPP4KLK5F2PRSS1
SCHEMBL7433766 0.89 DPP4 (0.42) ACEDPP4F2ACE2
SCHEMBL9221310 0.88 DPP4 (0.38) ACEDPP4KLK5F2PRSS1
SCHEMBL9276616 0.88 ACE (0.39) ACEDPP4KLK5F2PRSS1
SCHEMBL9218974 0.86 DPP4 (0.44) ACEDPP4F2ACE2

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 11 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-0479489-B1 Tripeptide antithrombotic agents LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0722449-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-24 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
WO-1995009859-A1 BOROPEPTIDE INHIBITORS OF THROMBIN WHICH CONTAIN A SUBSTITUTED PYRROLIDINE RING THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-13 WO disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed