SCHEMBL7707887

SCHEMBL7707887

CCOC(=O)CNC(CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.61
F11 P03951 12/20 0.61
F10 P00742 8/20 0.49
F7 P08709 6/20 0.49
PRSS1 P07477 5/20 0.49
PRSS2 P07478 5/20 0.49
PRSS3 P35030 5/20 0.49
F12 P00748 3/20 0.49
F9 P00740 1/20 0.49
F3 P13726 1/20 0.43
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 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
SCHEMBL6434774 1.00 F2 (0.61) F2F11F10F7PRSS1
SCHEMBL6435361 0.94 F2 (0.60) F2F11F10F7PRSS1
SCHEMBL6435616 0.94 F2 (0.63) F2F11F10F7PRSS1
SCHEMBL6439136 0.93 F2 (0.58) F2F11F10F7PRSS1
SCHEMBL6434950 0.93 F2 (0.59) F2F11F10F7PRSS1
SCHEMBL6437882 0.92 F2 (0.64) F2F11F10F7PRSS1
SCHEMBL6438901 0.91 F2 (0.57) F2F11F10F7PRSS1
SCHEMBL7957228 0.90 F2 (0.64) F2F11F10F7PRSS1
SCHEMBL7708367 0.90 F2 (0.64) F2F11F10F7PRSS1
SCHEMBL6439064 0.90 F2 (0.64) F2F11F10F7PRSS1

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