SCHEMBL3969718

SCHEMBL3969718

N=C(N)c1ccc(CC(=O)C(=O)O)c(OC[C@@H](CC(=O)OC(=O)C(F)(F)F)NC(=O)c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.57
F2 P00734 5/20 0.53
PRSS1 P07477 3/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
PLG P00747 1/20 0.32
C1S P09871 1/20 0.32
CTSG P08311 1/20 0.32
CTRB1 P17538 1/20 0.32
TMPRSS15 P98073 1/20 0.32
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
F7 P08709 1/20 0.30
F3 P13726 1/20 0.30

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
SCHEMBL3901692 0.91 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL3912337 0.89 F10 (0.63) F10F2PRSS1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3968945 0.89 F10 (0.63) F10F2PRSS1TMPRSS15ITGB3
SCHEMBL3907410 0.87 F10 (0.55) F10F2
SCHEMBL3897939 0.87 F10 (0.69) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3900443 0.85 F10 (0.65) F10F2PRSS1PRSS2PRSS3
SCHEMBL3894701 0.83 F10 (0.71) F10F2PRSS1PRSS2PRSS3
SCHEMBL4682219 0.81 F10 (0.46) F10F2PRSS1PRSS2PRSS3
SCHEMBL4685331 0.81 F10 (0.46) F10F2PRSS1PLGITGB3
Trifluoroacetic Acid SCHEMBL3901682 0.80 F10 (0.61) F10F2PRSS1TMPRSS15ITGB3

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
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