SCHEMBL14132291

SCHEMBL14132291

CCS(=O)(=O)N[C@@H](COc1cccc(C(=N)N)c1)Cc1ccc(OC2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.44
▸ F2 P00734 9/20 0.44
▸ ITGB3 P05106 2/20 0.40
▸ ITGA2B P08514 2/20 0.40
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL14131855 1.00 F10 (0.44) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3912132 0.95 F10 (0.43) F10F2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3895701 0.95 F10 (0.43) F10F2ITGB3ITGA2B
SCHEMBL14132288 0.93 ITGB3 (0.49) F10F2ITGB3ITGA2BPRSS1
SCHEMBL14132239 0.89 F10 (0.46) F10F2ITGB3ITGA2BPRSS1
SCHEMBL14132285 0.89 F10 (0.46) F10F2ITGB3ITGA2BPRSS1
Trifluoroacetic Acid SCHEMBL3900803 0.88 ITGB3 (0.51) F10F2ITGB3ITGA2B
SCHEMBL14132317 0.88 F10 (0.59) F10F2PRSS1
SCHEMBL3902762 0.86 F10 (0.43) F10F2ITGB3ITGA2B
SCHEMBL14132069 0.86 F10 (0.45) F10F2ITGB3ITGA2B

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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