SCHEMBL6769748

SCHEMBL6769748

Nc1nccc2ccc(OC[C@@H](CCC(=O)OC(=O)C(F)(F)F)NC(=O)c3ccc(C(=O)c4ccccc4)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.39
TLR7 Q9NYK1 1/20 0.34
CNR2 P34972 1/20 0.34
KLKB1 P03952 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PTPN1 P18031 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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 SCHEMBL6769745 0.90 F10 (0.42) F10TLR7CNR2PTPN1
SCHEMBL6771027 0.88 F10 (0.36) F10TLR7
SCHEMBL7812388 0.86 F10 (0.37) F10TLR7KLKB1
SCHEMBL6769298 0.86 F10 (0.37) F10TLR7KLKB1
Trifluoroacetic Acid SCHEMBL6771855 0.80 F10 (0.39) F10TLR7PTPN1
Trifluoroacetic Acid SCHEMBL6775797 0.78 DHFR (0.40) F10PTPN1
Trifluoroacetic Acid SCHEMBL6771022 0.78 F10 (0.40) F10TLR7PTPN1
Trifluoroacetic Acid SCHEMBL7812384 0.77 F10 (0.40) F10TLR7KLKB1PTPN1
Trifluoroacetic Acid SCHEMBL6769296 0.77 F10 (0.40) F10TLR7KLKB1PTPN1
Trifluoroacetic Acid SCHEMBL6890249 0.76 F10 (0.49) F10KLKB1TRPV1

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