SCHEMBL7280893

SCHEMBL7280893

COC(=O)CCc1ccc(-n2ncn(-c3ccc(C(=O)OC)cc3C(=N)N)c2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.37
F10 P00742 4/20 0.37
PRSS1 P07477 3/20 0.37
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
RPS6KA3 P51812 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC1 Q13547 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32

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
Hydrochloric Acid SCHEMBL7274822 0.85 TSHR (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7282168 0.85 F2 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7273458 0.84 ITGB3 (0.44) F2F10PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7281884 0.83 ITGB3 (0.43) F2F10PRSS1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8573867 0.83 ITGB3 (0.43) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274892 0.82 F2 (0.37) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7281659 0.80 ALDH1A1 (0.39) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274583 0.79 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8571837 0.78 ITGB3 (0.40) F2F10PRSS1ITGB3ITGA2B
SCHEMBL7274982 0.77 HTT (0.38) F2F10PRSS1ALDH1A1SMN1; SMN2

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