SCHEMBL7102494

SCHEMBL7102494

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(C(=N)N)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.58
F2 P00734 7/20 0.56
F10 P00742 3/20 0.56
PLG P00747 3/20 0.56
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.47
FKBP1A P62942 2/20 0.47

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
SCHEMBL7102558 0.92 TMPRSS11D (0.52) TMPRSS11DF2F10PLG
SCHEMBL7106028 0.92 TMPRSS11D (0.68) TMPRSS11DF2F10PLG
Hydrochloric Acid SCHEMBL7140902 0.91 TMPRSS11D (0.67) TMPRSS11DF2F10PLG
SCHEMBL7104150 0.91 TMPRSS11D (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7104147 0.91 TMPRSS11D (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7154243 0.87 TMPRSS11D (0.50) TMPRSS11DF2F10PLGFKBP1A
SCHEMBL7102504 0.86 CYP3A4 (0.49) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7105052 0.85 TMPRSS11D (0.58) TMPRSS11DF2F10PLG
SCHEMBL7365085 0.85 TMPRSS11D (0.64) TMPRSS11DF2F10PLG
SCHEMBL7102505 0.84 TMPRSS11D (0.44) TMPRSS11DF2F10PLGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed