SCHEMBL14131878

SCHEMBL14131878

CC(=N)N1CCC(Oc2ccc(C[C@@H](COc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccccc3C(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.54
▸ F2 P00734 4/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ PRSS1 P07477 3/20 0.43
▸ PLG P00747 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ PLAT P00750 1/20 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 SCHEMBL3903203 0.97 F10 (0.53) F10F2KCNH2PRSS1PLG
SCHEMBL13901307 0.94 F10 (0.47) F10F2KCNH2
SCHEMBL14132093 0.90 F10 (0.56) F10F2KCNH2PRSS1PLG
SCHEMBL14132072 0.89 F10 (0.57) F10F2KCNH2PRSS1PLG
Trifluoroacetic Acid SCHEMBL3896012 0.88 F10 (0.56) F10F2KCNH2PLG
SCHEMBL14132317 0.86 F10 (0.59) F10F2KCNH2PRSS1
SCHEMBL14132091 0.86 F10 (0.54) F10F2KCNH2PLGPLAT
SCHEMBL14132320 0.86 F10 (0.52) F10F2PRSS1PLGPRSS2
Trifluoroacetic Acid SCHEMBL3902709 0.86 F10 (0.56) F10F2KCNH2PRSS1PLG
Trifluoroacetic Acid SCHEMBL5092482 0.85 F10 (0.45) F10F2PRSS1

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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