SCHEMBL6401864

SCHEMBL6401864

CCCS(=O)(=O)NC(=O)C(Nc1ccc(C(=N)N)cc1)c1ccc(OC(C)C)c(OCC)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.76
F3 P13726 14/20 0.76
F10 P00742 9/20 0.59
F2 P00734 7/20 0.59
PRSS1 P07477 5/20 0.59
PRSS2 P07478 3/20 0.55
PRSS3 P35030 3/20 0.55

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
SCHEMBL6396234 0.95 F7 (0.74) F7F3F10F2PRSS1
SCHEMBL6395317 0.94 F7 (0.80) F7F3F10F2PRSS1
SCHEMBL5527932 0.92 F7 (0.72) F7F3F10F2PRSS1
SCHEMBL5512942 0.86 F7 (1.00) F7F3F10F2PRSS1
SCHEMBL5571330 0.86 F7 (0.73) F7F3F10F2PRSS1
SCHEMBL13162282 0.86 F7 (0.72) F7F3F10F2PRSS1
Hydrochloric Acid SCHEMBL3463119 0.86 F7 (0.72) F7F3F10F2PRSS1
SCHEMBL3463836 0.84 F7 (0.74) F7F3F10F2PRSS1
SCHEMBL13162297 0.84 F7 (0.70) F7F3F10F2PRSS1
Hydrochloric Acid SCHEMBL3463027 0.84 F7 (0.73) F7F3F10F2PRSS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919369-B2 Controlling blood coagulation GENENTECH, INC. (US) 2005-07-19 US claimed
EP-1144373-B1 SERINE PROTEASE INHIBITORS GENENTECH INC (US) 2005-10-19 EP disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 WO disclosed