SCHEMBL7463433

SCHEMBL7463433

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(C(=N)N)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.51
F2 P00734 7/20 0.49
F10 P00742 6/20 0.49
PLG P00747 3/20 0.49
XIAP P98170 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 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
Hydrochloric Acid SCHEMBL7156462 0.99 TMPRSS11D (0.50) TMPRSS11DF2F10PLGXIAP
SCHEMBL7463636 0.96 TMPRSS11D (0.55) TMPRSS11DF2F10PLGXIAP
Hydrochloric Acid SCHEMBL7156972 0.95 TMPRSS11D (0.55) TMPRSS11DF2F10PLGXIAP
SCHEMBL7363788 0.86 TMPRSS11D (0.45) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL7154388 0.85 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
Hydrochloric Acid SCHEMBL7154381 0.85 F2 (0.50) TMPRSS11DF2F10PLGPRSS1
SCHEMBL7105052 0.85 TMPRSS11D (0.58) TMPRSS11DF2F10PLG
SCHEMBL7106028 0.85 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL7140902 0.84 TMPRSS11D (0.67) TMPRSS11DF2F10PLG
SCHEMBL7363339 0.82 TMPRSS11D (0.49) TMPRSS11DF2F10PLGPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP claimed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed