SCHEMBL3897939

SCHEMBL3897939

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.69
F2 P00734 5/20 0.58
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
PRSS1 P07477 4/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
PLG P00747 1/20 0.38
C1S P09871 1/20 0.38
TMPRSS15 P98073 2/20 0.37

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
SCHEMBL3894701 0.96 F10 (0.71) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3968945 0.95 F10 (0.63) F10F2ITGB3ITGA2BPRSS1
SCHEMBL13901239 0.92 F10 (0.59) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3900443 0.91 F10 (0.65) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3896589 0.90 F10 (0.66) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3895264 0.88 F10 (0.70) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3969718 0.87 F10 (0.57) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3901682 0.85 F10 (0.61) F10F2ITGB3ITGA2BPRSS1
SCHEMBL3898000 0.85 F10 (0.65) F10F2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3912329 0.83 F10 (0.65) F10F2ITGB3ITGA2BPRSS1

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

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