SCHEMBL3901692

SCHEMBL3901692

CN(C)C(=O)c1ccc(C(=O)N[C@@H](COc2cc(C(=N)N)ccc2CC(=O)C(=O)O)CC(=O)OC(=O)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.55
F2 P00734 6/20 0.49
ITGB3 P05106 4/20 0.33
ITGA2B P08514 4/20 0.33
PLG P00747 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
C1S P09871 1/20 0.30
PRSS3 P35030 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
SCHEMBL3969718 0.91 F10 (0.57) F10F2ITGB3ITGA2BPLG
Trifluoroacetic Acid SCHEMBL3901682 0.90 F10 (0.61) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3896589 0.88 F10 (0.66) F10F2ITGB3ITGA2BPLG
SCHEMBL3912337 0.86 F10 (0.63) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3907410 0.84 F10 (0.55) F10F2
SCHEMBL5105561 0.82 F10 (0.61) F10F2
Trifluoroacetic Acid SCHEMBL3900443 0.82 F10 (0.65) F10F2ITGB3ITGA2BPLG
SCHEMBL13901374 0.81 F10 (0.57) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3968945 0.81 F10 (0.63) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3894701 0.80 F10 (0.71) F10F2ITGB3ITGA2BPLG

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