SCHEMBL7705240

SCHEMBL7705240

COc1ccccc1S(=O)(=O)NC(C(=O)N1CCCC1C(=O)NCc1ccc2c(N)nccc2c1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F11 P03951 13/20 0.56
F2 P00734 9/20 0.56
F7 P08709 9/20 0.47
F10 P00742 6/20 0.47
F3 P13726 5/20 0.47
TAAR1 Q96RJ0 1/20 0.45
PRSS1 P07477 4/20 0.45
PRSS2 P07478 4/20 0.45
PRSS3 P35030 4/20 0.45
F12 P00748 2/20 0.45
F9 P00740 1/20 0.45
KLK1 P06870 3/20 0.44
KLKB1 P03952 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 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
SCHEMBL6440464 1.00 F11 (0.56) F11F2F7F10F3
SCHEMBL7707938 0.90 F11 (0.62) F11F2F7F10F3
SCHEMBL7707943 0.90 F11 (0.60) F11F2F7F10F3
SCHEMBL6435639 0.90 F11 (0.60) F11F2F7F10F3
SCHEMBL6436766 0.90 F11 (0.62) F11F2F7F10F3
SCHEMBL6438341 0.88 F11 (0.61) F11F2F7F10F3
SCHEMBL7708313 0.88 F11 (0.61) F11F2F7F10F3
SCHEMBL6440443 0.85 F11 (0.58) F11F2F7F10F3
SCHEMBL7702475 0.85 F11 (0.58) F11F2F7F10F3
SCHEMBL6438813 0.85 F11 (0.62) F11F2F7F10F3

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