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Sugi Predict / Compounds / SCHEMBL14132067

SCHEMBL14132067

SCHEMBL14132067

CCCCS(=O)(=O)N[C@H](COc1cccc(C(=N)N)c1)Cc1ccc(OC2CCN(C(C)=N)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.55
▸ F2 P00734 5/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ PRSS1 P07477 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL5105528 0.95 F10 (0.54) F10F2KCNH2ITGB3ITGA2B
SCHEMBL14132317 0.93 F10 (0.59) F10F2KCNH2PRSS1
SCHEMBL14132066 0.89 ITGB3 (0.46) F10F2ITGB3ITGA2B
SCHEMBL14132288 0.89 ITGB3 (0.49) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL5105075 0.88 F10 (0.57) F10F2KCNH2PRSS1
SCHEMBL14132093 0.87 F10 (0.56) F10F2KCNH2PRSS1
Trifluoroacetic Acid SCHEMBL3898369 0.86 F10 (0.44) F10F2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3900803 0.84 ITGB3 (0.51) F10F2ITGB3ITGA2B
SCHEMBL14132091 0.84 F10 (0.54) F10F2KCNH2
SCHEMBL14132072 0.84 F10 (0.57) F10F2KCNH2PRSS1

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
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
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