SCHEMBL8770799

SCHEMBL8770799

N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.55
F2 P00734 4/20 0.51
TACR1 P25103 2/20 0.50
HPN P05981 2/20 0.49
HGFAC Q04756 2/20 0.49
ST14 Q9Y5Y6 2/20 0.49
TMPRSS11D O60235 1/20 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
SCHEMBL9710484 0.88 F2 (0.54) F10F2ST14
SCHEMBL7358827 0.86 TMPRSS11D (0.52) F10F2TACR1TMPRSS11D
SCHEMBL7023692 0.85 F10 (0.56) F10F2ST14
SCHEMBL7364973 0.84 TMPRSS11D (0.51) F10F2TACR1TMPRSS11D
SCHEMBL8770769 0.84 TMPRSS11D (0.51) F10F2TACR1TMPRSS11D
SCHEMBL8654561 0.84 F2 (0.59) F10F2HPNHGFACST14
SCHEMBL8654566 0.84 F2 (0.59) F10F2HPNHGFACST14
SCHEMBL7309132 0.82 F2 (0.58) F10F2HPNST14
SCHEMBL7743074 0.82 F10 (0.60) F10F2HPNHGFACST14
SCHEMBL15251950 0.82 TMPRSS11D (0.48) F10F2TMPRSS11D

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-0796271-A1 NEW DIPEPTIDE P-AMIDINOBENZYLAMIDES WITH N-TERMINAL SULFONYL OR AMINOSULFONYL RADICALS BASF AKTIENGESELLSCHAFT (DE) 1997-09-24 EP disclosed