SCHEMBL7442482

SCHEMBL7442482

COC(=O)/N=C(\N1CCC(COc2cc(C)cc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3Cl)c2)CC1)N(C(=O)OC)C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.58
F10 P00742 2/20 0.50
PRSS2 P07478 2/20 0.50
CTRC Q99895 2/20 0.44

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
SCHEMBL7442488 1.00 F2 (0.58) F2F10PRSS2CTRC
SCHEMBL7608413 0.88 F2 (0.66) F2F10PRSS2CTRC
SCHEMBL7436286 0.87 F2 (0.59) F2F10PRSS2CTRC
SCHEMBL7436290 0.87 F2 (0.59) F2F10PRSS2CTRC
SCHEMBL7446819 0.82 F2 (0.85) F2F10PRSS2
Hydrochloric Acid SCHEMBL7446815 0.82 F2 (0.83) F2F10PRSS2
SCHEMBL8696351 0.81 F2 (0.35) F2
Hydrochloric Acid SCHEMBL7604311 0.80 F2 (0.64) F2F10PRSS2CTRC
SCHEMBL7440276 0.75 F2 (0.77) F2F10PRSS2CTRC
SCHEMBL7450560 0.74 F2 (1.00) F2F10PRSS2CTRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP claimed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP claimed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP claimed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO claimed