SCHEMBL7708377

SCHEMBL7708377

CC(=O)OC(C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.63
F2 P00734 10/20 0.63
F7 P08709 7/20 0.53
F10 P00742 6/20 0.53
PRSS1 P07477 6/20 0.53
PRSS2 P07478 6/20 0.53
PRSS3 P35030 6/20 0.53
F12 P00748 3/20 0.53
F9 P00740 1/20 0.53
PRMT3 O60678 1/20 0.47
F3 P13726 1/20 0.46
ALDH1A1 P00352 1/20 0.44
KLKB1 P03952 3/20 0.44
KLK1 P06870 3/20 0.44

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
SCHEMBL6434787 1.00 F11 (0.63) F11F2F7F10PRSS1
SCHEMBL28584967 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL28584971 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL28584977 0.89 F11 (0.57) F11F2F7F10PRSS1
SCHEMBL7711124 0.87 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL6438863 0.87 F11 (0.65) F11F2F7F10PRSS1
SCHEMBL7708352 0.87 F11 (0.66) F11F2F7F10PRSS1
SCHEMBL6434959 0.87 F11 (0.66) F11F2F7F10PRSS1
SCHEMBL6435885 0.86 F11 (0.63) F11F2F7F10PRSS1
SCHEMBL6435882 0.86 F11 (0.63) F11F2F7F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed