SCHEMBL7144645

SCHEMBL7144645

C[C@@H](NC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.70
TMPRSS11D O60235 5/20 0.55
ALDH1A1 P00352 1/20 0.52
F10 P00742 1/20 0.51
PLG P00747 1/20 0.51

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
SCHEMBL7363164 1.00 F2 (0.70) F2TMPRSS11DALDH1A1F10PLG
Hydrochloric Acid SCHEMBL7148138 0.99 F2 (0.69) F2TMPRSS11DALDH1A1F10PLG
SCHEMBL7247783 0.87 F2 (0.54) F2TMPRSS11DALDH1A1
SCHEMBL6475186 0.87 F2 (0.53) F2TMPRSS11DALDH1A1F10PLG
Hydrochloric Acid SCHEMBL7158168 0.87 F2 (0.53) F2TMPRSS11DALDH1A1
SCHEMBL25054265 0.85 F2 (0.71) F2TMPRSS11DF10PLG
SCHEMBL23793874 0.85 F2 (0.71) F2TMPRSS11DF10PLG
SCHEMBL23793886 0.84 F2 (0.69) F2TMPRSS11DF10PLG
SCHEMBL23793695 0.84 F2 (0.69) F2TMPRSS11DF10PLG
Acetic Acid SCHEMBL6485295 0.84 F2 (0.78) F2TMPRSS11DF10PLG

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-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP claimed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed