SCHEMBL8355283

SCHEMBL8355283

N=C(N)NCCCCNCCCC1C(=O)[N]CCN1C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.43
TPSAB1 Q15661 3/20 0.39
TPSD1 Q9BZJ3 3/20 0.39
TPSG1 Q9NRR2 3/20 0.39
DPP8 Q6V1X1 3/20 0.38
DPP7 Q9UHL4 3/20 0.38
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
ITGB3 P05106 2/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
ITGAV P06756 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TGM2 P21980 1/20 0.37
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7341224 0.92 PREP (0.42) PREPTPSAB1TPSD1TPSG1DPP8
SCHEMBL7294189 0.84 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7334231 0.83 MAPT (0.46) PREPITGB3KEAP1NFE2L2HTT
SCHEMBL8214593 0.76 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL21171925 0.72 HTT (0.67) DPP8DPP7DPP4DPP9KEAP1
SCHEMBL8553717 0.72 ITGB3 (0.51) PREPITGB3HTTITGA2B
SCHEMBL7295048 0.71 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7334492 0.71 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL24486949 0.70 HTT (0.67) DPP8DPP7KEAP1NFE2L2HTT
SCHEMBL29388202 0.68 PREP (0.51) PREPDPP8DPP7DPP4DPP9

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-5935963-A (4-GUANIDINOBENZOYLAMINO)ACETYL-3-(3-(4-GUANIDINOBENZOYLAMINO) PROPYL)-2-OXOPIPERAZINE-1-ACETIC ACID OR A SALT; CONTROLLING OR INHIBITING CELL-ADHESION; PLATELET ANTIAGGREGATION WITHOUT LONG HEMORRHAGING; ANTIICHEMIC AGENTS; ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1999-08-10 US disclosed
US-5876756-A SUSTAINED RELEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-02 US disclosed