SCHEMBL7440159

SCHEMBL7440159

Cc1cc(OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.55
PRSS2 P07478 6/20 0.55
CTRC Q99895 6/20 0.54
F10 P00742 4/20 0.54
KCNA5 P22460 1/20 0.45

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
SCHEMBL7608163 0.91 EPHX2 (0.51) F2PRSS2F10KCNA5
SCHEMBL6553561 0.85 CD274 (0.49) KCNA5
SCHEMBL6553001 0.85 F2 (0.76) F2PRSS2CTRCF10
Acetic Acid SCHEMBL7451815 0.84 F2 (0.68) F2PRSS2CTRCF10
SCHEMBL7442140 0.82 F2 (0.48) F2PRSS2CTRCF10
SCHEMBL7446659 0.82 F2 (0.59) F2PRSS2CTRCF10
Acetic Acid SCHEMBL7603777 0.80 F2 (0.58) F2PRSS2CTRCF10
SCHEMBL7443994 0.80 F2 (0.76) F2PRSS2CTRCF10
SCHEMBL6554531 0.78 F2 (0.75) F2PRSS2CTRCF10
SCHEMBL7601940 0.78 F2 (0.75) 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 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 disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed