SCHEMBL3897898

SCHEMBL3897898

CCCCS(=O)(=O)N[C@@H](COc1cccc(C(=N)N)c1)Cc1ccc(OC(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.47
▸ ITGA2B P08514 4/20 0.47
▸ F10 P00742 7/20 0.44
▸ F3 P13726 5/20 0.39
▸ F7 P08709 2/20 0.39
▸ MRGPRX1 Q96LB2 2/20 0.38
▸ F2 P00734 6/20 0.38
▸ TMPRSS6 Q8IU80 2/20 0.38

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
SCHEMBL3897896 1.00 ITGB3 (0.47) ITGB3ITGA2BF10F3F7
Trifluoroacetic Acid SCHEMBL3897893 0.91 ITGB3 (0.49) ITGB3ITGA2BF10F3F7
Trifluoroacetic Acid SCHEMBL3901640 0.89 ITGB3 (0.48) ITGB3ITGA2BF10F3F7
SCHEMBL14132287 0.86 ITGB3 (0.48) ITGB3ITGA2BF10MRGPRX1F2
Trifluoroacetic Acid SCHEMBL3900803 0.84 ITGB3 (0.51) ITGB3ITGA2BF10F3F7
Trifluoroacetic Acid SCHEMBL5105528 0.82 F10 (0.54) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3900097 0.81 F10 (0.47) F10F3F7F2TMPRSS6
SCHEMBL14132288 0.80 ITGB3 (0.49) ITGB3ITGA2BF10F2
Trifluoroacetic Acid SCHEMBL3898369 0.79 F10 (0.44) ITGB3ITGA2BF10F2TMPRSS6
SCHEMBL14132067 0.79 F10 (0.55) ITGB3ITGA2BF10F2

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
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