SCHEMBL7282168

SCHEMBL7282168

COC(=O)CCc1ccc(-n2ccn(-c3ccc(C(=O)OC)cc3C(=N)N)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.39
F10 P00742 3/20 0.39
PRSS1 P07477 3/20 0.39
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP4F2 P78329 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
TMPRSS15 P98073 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL7275023 0.87 CYP4F2 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7280893 0.85 F2 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274892 0.85 F2 (0.37) F2F10PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7275608 0.83 ITGB3 (0.48) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7281659 0.83 ALDH1A1 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8571837 0.83 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274583 0.82 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274982 0.79 HTT (0.38) F2F10PRSS1ALDH1A1MAPT
SCHEMBL7282163 0.76 PTPN1 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8571608 0.76 ITGB3 (0.38) F2F10ITGB3ITGA2BALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed