SCHEMBL7286356

SCHEMBL7286356

NCCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)C2CC(N)=O)cc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.89
ITGA2B P08514 20/20 0.89

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
SCHEMBL7276221 1.00 ITGB3 (0.89) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7277583 0.99 ITGB3 (0.88) ITGB3ITGA2B
SCHEMBL7285056 0.94 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7284563 0.91 ITGB3 (0.90) ITGB3ITGA2B
SCHEMBL7287292 0.90 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7287280 0.90 ITGB3 (1.00) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7284333 0.89 ITGB3 (0.90) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7276415 0.89 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL7278621 0.89 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7283969 0.88 ITGB3 (0.98) ITGB3ITGA2B

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

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