SCHEMBL8553717

SCHEMBL8553717

O=C(O)CN1CCN(C(=O)CNC(=O)OCc2ccccc2)[C@@H](CCCNC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.51
ITGA2B P08514 16/20 0.51
PREP P48147 2/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL7311516 0.93 ITGB3 (0.46) ITGB3ITGA2BPREP
SCHEMBL7315345 0.92 ITGB3 (0.55) ITGB3ITGA2BPREP
SCHEMBL7315330 0.92 ITGB3 (0.55) ITGB3ITGA2BPREP
SCHEMBL7294189 0.90 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL8619569 0.89 SIGMAR1 (0.44) ITGB3ITGA2BPREPHTT
SCHEMBL7285021 0.89 SIGMAR1 (0.44) ITGB3ITGA2BPREPHTT
SCHEMBL7334492 0.89 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL8214593 0.89 ITGB3 (0.51) ITGB3ITGA2B
SCHEMBL7295048 0.89 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7286648 0.88 ITGB3 (0.43) ITGB3ITGA2BPREP

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-0822931-A1 PIPERAZINONES USEFUL AS INHIBITORS OF PLATELET AGGREGATION Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed