SCHEMBL8020868

SCHEMBL8020868

CC(=O)OC1CCN(C(=O)C(Cc2ccc(O)cc2)NC(=O)c2ccc(C(=N)N)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.75
ITGA2B P08514 13/20 0.75
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
F2 P00734 2/20 0.45
PLG P00747 2/20 0.45
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
CYP51A1 Q16850 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
LNPEP Q9UIQ6 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
SCHEMBL8689958 0.93 ITGB3 (0.73) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL7301514 0.91 ITGB3 (0.62) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27386352 0.90 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL27386345 0.90 ITGB3 (0.61) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8690540 0.89 ITGB3 (0.70) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL13933091 0.89 ITGB3 (0.83) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL8642742 0.88 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL6099449 0.87 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
SCHEMBL4425018 0.87 ITGB3 (0.75) ITGB3ITGA2BPRSS1PRSS2PRSS3
Lamifiban SCHEMBL4683 0.86 ITGB3 (1.00) ITGB3ITGA2BPRSS1PRSS2PRSS3

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
WO-2000029019-A1 RESTORATION OF PLATELET AGGREGATION BY ANTIBODY ADMINISTRATION AFTER GPIIB/IIIA ANTAGONIST TREATMENT G.D. SEARLE & CO. (US) 2000-05-25 WO disclosed
EP-0912901-A1 METHOD AND REAGENT FOR MONITORING BLOOD LEVELS OF ANTIPLATELET COMPOUNDS G.D. SEARLE & CO. (US) 1999-05-06 EP disclosed
WO-1997043650-A1 METHOD AND REAGENT FOR MONITORING BLOOD LEVELS OF ANTIPLATELET COMPOUNDS G.D. SEARLE & CO. (US) 1997-11-20 WO disclosed