SCHEMBL7274081

SCHEMBL7274081

COC(=O)CCc1ccc(N2C(=O)N(c3ccc(C(=N)N)cc3)CC2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.45
ITGA2B P08514 7/20 0.45
F10 P00742 11/20 0.41
PRSS1 P07477 9/20 0.41
F2 P00734 9/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
ST14 Q9Y5Y6 2/20 0.41
HPN P05981 1/20 0.41
HGFAC Q04756 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 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
SCHEMBL7283112 0.89 ITGB3 (0.59) ITGB3ITGA2BF10PRSS1PRSS2
SCHEMBL7390938 0.85 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
Hydrochloric Acid SCHEMBL7282146 0.85 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7284058 0.85 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7280885 0.85 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
Hydrochloric Acid SCHEMBL7272547 0.83 ITGB3 (0.53) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7275331 0.82 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7280939 0.82 ITGB3 (0.43) ITGB3ITGA2BF10PRSS1F2
Hydrochloric Acid SCHEMBL7282064 0.81 F10 (0.52) ITGB3ITGA2BF10PRSS1F2
SCHEMBL7276660 0.80 ITGB3 (0.47) ITGB3ITGA2BF10PRSS1F2

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
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP 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