SCHEMBL7601994

SCHEMBL7601994

NN=CN1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.71
PRSS2 P07478 3/20 0.58
F10 P00742 2/20 0.58
CTRC Q99895 2/20 0.54

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 SCHEMBL7487747 0.90 F2 (0.70) F2PRSS2F10CTRC
SCHEMBL7602926 0.89 F2 (0.73) F2PRSS2F10CTRC
SCHEMBL7603459 0.89 F2 (0.62) F2PRSS2F10CTRC
SCHEMBL7603811 0.89 F2 (0.73) F2PRSS2F10CTRC
SCHEMBL7603448 0.89 F2 (0.76) F2PRSS2F10CTRC
SCHEMBL7603866 0.85 F2 (0.76) F2PRSS2F10CTRC
Hydrochloric Acid SCHEMBL7604726 0.84 F2 (0.71) F2PRSS2F10CTRC
SCHEMBL7447411 0.83 F2 (1.00) F2PRSS2F10CTRC
Hydrochloric Acid SCHEMBL7495452 0.82 F2 (0.51) F2PRSS2F10CTRC
SCHEMBL7451365 0.81 F2 (0.67) F2PRSS2F10CTRC

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-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP claimed
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed