SCHEMBL9053763

SCHEMBL9053763

C=C[C@H](CC(=O)OCC)NC(=O)Cn1ccn(-c2ccc(C(=N)N)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.44
ITGA2B P08514 9/20 0.44
F2 P00734 8/20 0.39
F10 P00742 7/20 0.39
PRSS1 P07477 1/20 0.38
TP53 P04637 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
Trifluoroacetic Acid SCHEMBL7399230 0.94 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8544627 0.87 ITGB3 (0.56) ITGB3ITGA2BF10
SCHEMBL7403554 0.86 ITGB3 (0.41) ITGB3ITGA2BTP53
SCHEMBL8538690 0.83 F2 (0.47) ITGB3ITGA2BF2F10PRSS1
Trifluoroacetic Acid SCHEMBL7403550 0.82 ITGB3 (0.51) ITGB3ITGA2BF2
Trifluoroacetic Acid SCHEMBL7398703 0.82 ITGB3 (0.39) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8539444 0.79 ITGB3 (0.47) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7419091 0.77 ITGB3 (0.45) ITGB3ITGA2BF2F10PRSS1
Trifluoroacetic Acid SCHEMBL8539907 0.76 ITGB3 (0.37) ITGB3ITGA2BF2F10PRSS1
SCHEMBL8538055 0.76 ITGB3 (0.54) ITGB3ITGA2BF2

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-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed