SCHEMBL5105570

SCHEMBL5105570

CCS(=O)(=O)N[C@H](COc1cccc(C(=N)N)c1)Cc1ccc(OS(=O)(=O)CC)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.48
▸ F2 P00734 7/20 0.45
▸ PRSS1 P07477 8/20 0.41

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
SCHEMBL5105574 1.00 F10 (0.48) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3900097 0.94 F10 (0.47) F10F2
SCHEMBL14132287 0.88 ITGB3 (0.48) F10F2PRSS1
SCHEMBL13901371 0.86 F10 (0.46) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3901640 0.83 ITGB3 (0.48) F10F2
SCHEMBL14131855 0.82 F10 (0.44) F10F2PRSS1
SCHEMBL14132291 0.82 F10 (0.44) F10F2PRSS1
SCHEMBL14132317 0.80 F10 (0.59) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL3912132 0.78 F10 (0.43) F10F2
Trifluoroacetic Acid SCHEMBL3895701 0.78 F10 (0.43) F10F2

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
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
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