SCHEMBL7443374

SCHEMBL7443374

CC(C)(C)OC(=O)N1CCC(COc2cccc(OS(=O)(=O)c3ccccc3Cl)c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.72
F10 P00742 2/20 0.61
PRSS2 P07478 2/20 0.61
CTRC Q99895 2/20 0.53
STS P08842 2/20 0.49
SLC2A1 P11166 1/20 0.48
GPR119 Q8TDV5 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
SCHEMBL6553001 0.91 F2 (0.76) F2F10PRSS2CTRC
SCHEMBL7601940 0.91 F2 (0.75) F2F10PRSS2CTRCSLC2A1
SCHEMBL7548937 0.89 F2 (0.63) F2F10PRSS2CTRC
SCHEMBL7451573 0.89 F2 (0.74) F2F10PRSS2CTRCSTS
SCHEMBL7441896 0.88 F2 (0.78) F2F10PRSS2CTRCSTS
SCHEMBL6554531 0.86 F2 (0.75) F2F10PRSS2CTRC
SCHEMBL26668458 0.85 SLC2A1 (0.59) SLC2A1GPR119
SCHEMBL6554465 0.84 F2 (0.55) F2F10PRSS2CTRCSTS
SCHEMBL7603439 0.84 F2 (0.55) F2F10PRSS2CTRCSTS
SCHEMBL7608163 0.84 EPHX2 (0.51) F2F10PRSS2STS

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