SCHEMBL8897233

SCHEMBL8897233

N=C(N)c1ccc(-c2ccc3c(c2)CN(CCc2ccccc2)C(=O)C(CC(=O)OC2CCCCC2)N3NC=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.42
ITGA2B P08514 16/20 0.42
ITGAV P06756 2/20 0.42
F2 P00734 4/20 0.34
PRSS1 P07477 3/20 0.34
PLG P00747 2/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
F10 P00742 2/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 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
SCHEMBL8896265 0.90 ITGB3 (0.45) ITGB3ITGA2BITGAVF2F10
SCHEMBL8401186 0.80 ITGB3 (0.45) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL7397917 0.72 ITGB3 (0.71) ITGB3ITGA2BITGAV
SCHEMBL8398958 0.70 ITGB3 (0.57) ITGB3ITGA2BITGAV
SCHEMBL8897339 0.69 PRSS1 (0.34) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL7402539 0.68 ITGB3 (0.59) ITGB3ITGA2BITGAVF2F10
SCHEMBL7401076 0.68 ITGB3 (0.51) ITGB3ITGA2BITGAVF2PRSS1
SCHEMBL8401294 0.67 ITGB3 (0.46) ITGB3ITGA2BITGAV
SCHEMBL7395726 0.67 ITGB3 (0.69) ITGB3ITGA2BITGAVF2F10
SCHEMBL7397591 0.67 ITGB3 (0.68) ITGB3ITGA2BITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed