SCHEMBL6771027

SCHEMBL6771027

N=C(N)Nc1ccc(C(=O)N[C@H](CCC(=O)OC(=O)C(F)(F)F)COc2ccc3ccnc(N)c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.36
F9 P00740 4/20 0.34
F7 P08709 4/20 0.34
F11 P03951 2/20 0.34
PRSS1 P07477 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TLR7 Q9NYK1 1/20 0.33
PLAU P00749 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL6771022 0.89 F10 (0.40) F10F9F7F11PRSS1
SCHEMBL6769748 0.88 F10 (0.39) F10TLR7
SCHEMBL7812388 0.87 F10 (0.37) F10PRSS1TLR7
SCHEMBL6769298 0.87 F10 (0.37) F10PRSS1TLR7
Trifluoroacetic Acid SCHEMBL6771855 0.79 F10 (0.39) F10TLR7
Trifluoroacetic Acid SCHEMBL6769745 0.77 F10 (0.42) F10TLR7
Trifluoroacetic Acid SCHEMBL7812384 0.76 F10 (0.40) F10TLR7
Trifluoroacetic Acid SCHEMBL6769296 0.76 F10 (0.40) F10TLR7
Trifluoroacetic Acid SCHEMBL6769455 0.76 F10 (0.45) F10F9F7F11PRSS1
Trifluoroacetic Acid SCHEMBL6775797 0.75 DHFR (0.40) F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 EP disclosed