SCHEMBL7287331

SCHEMBL7287331

COC(=O)CN1CCN(C(=O)CN)[C@@H](CC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.48
ITGA2B P08514 19/20 0.48
PLA2G10 O15496 1/20 0.35
PLA2G5 P39877 1/20 0.35

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
SCHEMBL7287337 1.00 ITGB3 (0.48) ITGB3ITGA2BPLA2G10PLA2G5
Hydrochloric Acid SCHEMBL7284193 0.99 ITGB3 (0.48) ITGB3ITGA2BPLA2G10PLA2G5
Hydrochloric Acid SCHEMBL7284184 0.99 ITGB3 (0.48) ITGB3ITGA2BPLA2G10PLA2G5
SCHEMBL7278333 0.94 ITGB3 (0.43) ITGB3ITGA2BPLA2G10PLA2G5
Hydrochloric Acid SCHEMBL7277850 0.93 ITGB3 (0.42) ITGB3ITGA2BPLA2G10PLA2G5
SCHEMBL7287318 0.83 ITGB3 (0.45) ITGB3ITGA2BPLA2G10PLA2G5
SCHEMBL7924881 0.82 ITGB3 (0.49) ITGB3ITGA2BPLA2G10PLA2G5
SCHEMBL7370859 0.82 ITGB3 (0.49) ITGB3ITGA2BPLA2G10PLA2G5
Hydrochloric Acid SCHEMBL7275904 0.82 ITGB3 (0.44) ITGB3ITGA2BPLA2G10PLA2G5
SCHEMBL7277834 0.78 PLA2G10 (0.56) ITGB3ITGA2BPLA2G10PLA2G5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529858-B1 2-Piperazinone compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-15 EP disclosed
US-5294713-A Inhibiting cell adhesion TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-15 US disclosed
EP-0529858-A1 2-Piperazinone compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-03-03 EP disclosed