SCHEMBL6439167

SCHEMBL6439167

CC(C)(C)OC(=O)NC(Cc1ccc(Cl)cc1)C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.61
F11 P03951 12/20 0.61
PRSS1 P07477 8/20 0.47
F10 P00742 7/20 0.47
PRSS2 P07478 7/20 0.47
PRSS3 P35030 7/20 0.47
F7 P08709 6/20 0.47
F12 P00748 3/20 0.44
F9 P00740 1/20 0.44
ALDH1A1 P00352 1/20 0.44
F3 P13726 1/20 0.43
ACE P12821 1/20 0.42

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
SCHEMBL6439169 1.00 F2 (0.61) F2F11PRSS1F10PRSS2
SCHEMBL6438941 0.94 F11 (0.62) F2F11PRSS1ACE
SCHEMBL6438939 0.94 F11 (0.62) F2F11PRSS1ACE
SCHEMBL6438348 0.93 F11 (0.63) F2F11PRSS1F10PRSS2
SCHEMBL6438346 0.93 F11 (0.63) F2F11PRSS1F10PRSS2
SCHEMBL6437522 0.92 F11 (0.60) F2F11PRSS1F10PRSS2
SCHEMBL6437519 0.92 F11 (0.60) F2F11PRSS1F10PRSS2
SCHEMBL6435634 0.90 F11 (0.58) F2F11PRSS1F10PRSS2
SCHEMBL6435631 0.90 F11 (0.58) F2F11PRSS1F10PRSS2
SCHEMBL6438552 0.88 F2 (0.55) F2F11PRSS1ACE

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-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
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
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed