SCHEMBL27363603

SCHEMBL27363603

N=C(N)c1ccc(CNCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CCC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.76
ITGA2B P08514 20/20 0.76

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
SCHEMBL6159763 0.87 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6158741 0.79 ITGB3 (0.85) ITGB3ITGA2B
SCHEMBL6159953 0.79 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL6156606 0.78 ITGB3 (0.83) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7022993 0.78 ITGB3 (0.98) ITGB3ITGA2B
SCHEMBL6156687 0.78 ITGB3 (1.00) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7296379 0.78 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7358243 0.77 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL6157010 0.77 ITGB3 (0.82) ITGB3ITGA2B
SCHEMBL7278621 0.77 ITGB3 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1078968-A 2-Piperazinone compounds and their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-01 CN claimed
CN-1069730-A 2-Piperazinone compounds and their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-03-10 CN claimed