SCHEMBL7707933

SCHEMBL7707933

CC(=O)OC(C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F11 P03951 14/20 0.61
F2 P00734 11/20 0.61
F7 P08709 8/20 0.49
F10 P00742 7/20 0.49
PRSS1 P07477 7/20 0.49
PRSS2 P07478 7/20 0.49
PRSS3 P35030 7/20 0.49
F12 P00748 3/20 0.47
F9 P00740 1/20 0.47
F3 P13726 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KLKB1 P03952 2/20 0.43
KLK1 P06870 2/20 0.43

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
SCHEMBL6441512 1.00 F11 (0.61) F11F2F7F10PRSS1
SCHEMBL6435495 0.92 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6436216 0.92 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6435490 0.92 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6870755 0.92 F11 (0.60) F11F2F7F10PRSS1
SCHEMBL6469391 0.92 F11 (0.60) F11F2F7F10PRSS1
SCHEMBL6438483 0.91 F11 (0.61) F11F2F7F10PRSS1
SCHEMBL6436898 0.90 F11 (0.60) F11F2F7F10PRSS1
SCHEMBL6436900 0.90 F11 (0.60) F11F2F7F10PRSS1
SCHEMBL6436268 0.88 F11 (0.56) 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