SCHEMBL7702475

SCHEMBL7702475

Nc1nccc2cc(CNC(=O)C3CCCN3C(=O)C(NS(=O)(=O)Cc3ccccc3)c3ccccc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F11 P03951 9/20 0.58
F2 P00734 8/20 0.58
F10 P00742 5/20 0.52
F7 P08709 5/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
TMPRSS11D O60235 9/20 0.49
PLG P00747 2/20 0.48
F3 P13726 2/20 0.47

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
SCHEMBL6440443 1.00 F11 (0.58) F11F2F10F7PRSS1
SCHEMBL6438341 0.93 F11 (0.61) F11F2F10F7PRSS1
SCHEMBL7708313 0.93 F11 (0.61) F11F2F10F7PRSS1
SCHEMBL7707943 0.91 F11 (0.60) F11F2F10F7PRSS1
SCHEMBL6436766 0.91 F11 (0.62) F11F2F10F7PRSS1
SCHEMBL6435639 0.91 F11 (0.60) F11F2F10F7PRSS1
SCHEMBL7707938 0.91 F11 (0.62) F11F2F10F7PRSS1
SCHEMBL7711114 0.87 F11 (0.62) F11F2F10F7PRSS1
SCHEMBL6436658 0.87 F11 (0.62) F11F2F10F7PRSS1
SCHEMBL7708322 0.87 F11 (0.60) F11F2F10F7PRSS1

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