SCHEMBL7440276

SCHEMBL7440276

COC(=O)N=C(N)N1CCC(COc2cc(C)cc(OS(=O)(=O)c3ccccc3Cl)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.77
PRSS2 P07478 3/20 0.77
F10 P00742 2/20 0.77
CTRC Q99895 3/20 0.68

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
SCHEMBL7452093 0.88 F2 (0.67) F2PRSS2F10CTRC
SCHEMBL7452099 0.88 F2 (0.67) F2PRSS2F10CTRC
SCHEMBL7608413 0.87 F2 (0.66) F2PRSS2F10CTRC
SCHEMBL7446067 0.87 F2 (1.00) F2PRSS2F10CTRC
SCHEMBL7440272 0.84 F2 (0.77) F2PRSS2F10CTRC
Hydrochloric Acid SCHEMBL6553152 0.84 F2 (0.98) F2PRSS2F10CTRC
SCHEMBL7436276 0.82 F2 (1.00) F2PRSS2F10CTRC
SCHEMBL6553001 0.82 F2 (0.76) F2PRSS2F10CTRC
SCHEMBL7448181 0.82 F2 (1.00) F2PRSS2F10CTRC
SCHEMBL7439337 0.82 F2 (1.00) 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 8 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
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