SCHEMBL7301414

SCHEMBL7301414

COC(=O)C[C@H]1C(=O)N(CC(=O)O)CCN1C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)c1ccc(CCN)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.67
ITGA2B P08514 18/20 0.67
CA2 P00918 1/20 0.43

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
SCHEMBL7299479 0.91 ITGB3 (0.64) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7308781 0.88 ITGB3 (0.52) ITGB3ITGA2BCA2
SCHEMBL7296139 0.87 ITGB3 (0.51) ITGB3ITGA2BCA2
SCHEMBL7924876 0.86 ITGB3 (0.49) ITGB3ITGA2BCA2
SCHEMBL7924873 0.86 ITGB3 (0.49) ITGB3ITGA2BCA2
SCHEMBL7924865 0.86 ITGB3 (0.49) ITGB3ITGA2BCA2
Trifluoroacetic Acid SCHEMBL7931550 0.85 ITGB3 (0.48) ITGB3ITGA2BCA2
Trifluoroacetic Acid SCHEMBL7931542 0.85 ITGB3 (0.48) ITGB3ITGA2BCA2
SCHEMBL7298219 0.84 ITGB3 (0.61) ITGB3ITGA2B
SCHEMBL7300037 0.83 ITGB3 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed