SCHEMBL3902149

SCHEMBL3902149

N=C(N)c1ccc(CC(=O)C(=O)OC(=O)C(F)(F)F)c(OCCNC(=O)c2ccc(N3CCCC3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.62
F2 P00734 3/20 0.62
KLKB1 P03952 1/20 0.37
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
PPARG P37231 4/20 0.36

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
SCHEMBL3905684 0.90 F10 (0.77) F10F2KLKB1
Trifluoroacetic Acid SCHEMBL3902136 0.88 F10 (0.74) F10F2PPARG
SCHEMBL14132218 0.87 F10 (0.80) F10F2PPARG
SCHEMBL3899625 0.84 F10 (0.62) F10F2
Trifluoroacetic Acid SCHEMBL3905673 0.78 F10 (0.92) F10F2
SCHEMBL4687024 0.78 F10 (0.54) F10F2
SCHEMBL4685847 0.77 F10 (0.53) F10F2KLKB1
SCHEMBL13901249 0.77 F10 (1.00) F10F2
SCHEMBL14132315 0.75 F10 (1.00) F10F2
Trifluoroacetic Acid SCHEMBL3896204 0.75 F10 (0.70) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed