SCHEMBL7708367

SCHEMBL7708367

Nc1nccc2cc(CNC(=O)C3CCCN3C(=O)C(CC3CCCCC3)NCC(=O)O)ccc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.64
F11 P03951 10/20 0.64
F10 P00742 4/20 0.49
PRSS1 P07477 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
F12 P00748 3/20 0.49
F7 P08709 3/20 0.49
F9 P00740 1/20 0.49
PLG P00747 1/20 0.49
PLAT P00750 1/20 0.49

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
SCHEMBL6439064 1.00 F2 (0.64) F2F11F10PRSS1PRSS2
SCHEMBL7957228 1.00 F2 (0.64) F2F11F10PRSS1PRSS2
SCHEMBL6435616 0.92 F2 (0.63) F2F11F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL6438384 0.91 F2 (0.61) F2F11F10PRSS1PRSS2
Hydrochloric Acid SCHEMBL6435313 0.91 F2 (0.62) F2F11F10PRSS1PRSS2
SCHEMBL6437882 0.91 F2 (0.64) F2F11F10PRSS1PRSS2
SCHEMBL7707887 0.90 F2 (0.61) F2F11F10PRSS1PRSS2
SCHEMBL6434774 0.90 F2 (0.61) F2F11F10PRSS1PRSS2
SCHEMBL6438901 0.90 F2 (0.57) F2F11F10PRSS1PRSS2
SCHEMBL7165704 0.89 F11 (0.72) F2F11F10PRSS1PRSS2

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