SCHEMBL6439272

SCHEMBL6439272

CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCC[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.56
F2 P00734 11/20 0.56
F7 P08709 9/20 0.46
F10 P00742 6/20 0.46
PRSS1 P07477 5/20 0.46
PRSS2 P07478 5/20 0.46
PRSS3 P35030 5/20 0.46
F12 P00748 3/20 0.46
F9 P00740 1/20 0.46
F3 P13726 4/20 0.46
KCNH2 Q12809 1/20 0.43
CMA1 P23946 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
SCHEMBL6439271 1.00 F11 (0.56) F11F2F7F10PRSS1
SCHEMBL6435693 0.98 F11 (0.59) F11F2F7F10PRSS1
SCHEMBL6435689 0.98 F11 (0.59) F11F2F7F10PRSS1
SCHEMBL6438353 0.95 F11 (0.53) F11F2F7F10PRSS1
SCHEMBL6438358 0.95 F11 (0.53) F11F2F7F10PRSS1
SCHEMBL6438377 0.92 F2 (0.52) F11F2F7F10F3
SCHEMBL6438374 0.92 F2 (0.52) F11F2F7F10F3
SCHEMBL6438817 0.91 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6439323 0.91 F11 (0.62) F11F2F7F10PRSS1
SCHEMBL6438813 0.91 F11 (0.62) 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 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-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US 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-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed