SCHEMBL7602897

SCHEMBL7602897

Cc1cc(OCC2CCCN(C=NN)C2)cc(OS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.73
PRSS2 P07478 5/20 0.73
CTRC Q99895 4/20 0.73
F10 P00742 2/20 0.73

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
SCHEMBL7603459 0.90 F2 (0.62) F2PRSS2CTRCF10
SCHEMBL7602926 0.90 F2 (0.73) F2PRSS2CTRCF10
SCHEMBL7603811 0.84 F2 (0.73) F2PRSS2CTRCF10
SCHEMBL7440084 0.84 F2 (1.00) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL7604726 0.83 F2 (0.71) F2PRSS2CTRCF10
Hydrochloric Acid SCHEMBL7487747 0.81 F2 (0.70) F2PRSS2CTRCF10
SCHEMBL7443994 0.81 F2 (0.76) F2PRSS2CTRCF10
SCHEMBL7603866 0.80 F2 (0.76) F2PRSS2CTRCF10
SCHEMBL7603448 0.80 F2 (0.76) F2PRSS2CTRCF10
SCHEMBL7601994 0.79 F2 (0.71) F2PRSS2CTRCF10

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