SCHEMBL9440428

SCHEMBL9440428

[NH]C(=O)CCC(=O)Nc1ccc(C(=N)N)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.67
ITGA2B P08514 12/20 0.67
F2 P00734 1/20 0.61
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
TMPRSS6 Q8IU80 1/20 0.61
ST14 Q9Y5Y6 1/20 0.61

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
SCHEMBL8502841 0.88 ITGB3 (0.68) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3290955 0.87 ITGB3 (0.81) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13094273 0.86 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL13094271 0.86 ITGB3 (0.66) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL6983890 0.85 ITGB3 (0.78) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL20012525 0.85 ITGB3 (0.65) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL30701848 0.85 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
Hydrochloric Acid SCHEMBL30314839 0.85 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3093114 0.85 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL3081459 0.85 ITGB3 (0.64) ITGB3ITGA2BF2PRSS1PRSS2

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
EP-0614360-A1 SUBSTITUTED -g(b)-AMINO ACID DERIVATIVES USEFUL AS PLATELET AGGREGATION INHIBITORS. SEARLE & CO (US) 1994-09-14 EP disclosed