SCHEMBL27363606

SCHEMBL27363606

N=C(N)c1ccc(CNCC(=O)N2CCN(CC(=O)O)C(=O)C2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.74
ITGA2B P08514 19/20 0.74
TPSAB1 Q15661 1/20 0.41

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
SCHEMBL6158735 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL27363603 0.76 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL8385342 0.72 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL8949226 0.72 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL7451997 0.69 ITGB3 (0.54) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6370926 0.69 KMT2A (0.58)
SCHEMBL7762424 0.68 ITGB3 (0.53) ITGB3ITGA2B
SCHEMBL7999929 0.67 HRH3 (0.52) ITGB3ITGA2B
SCHEMBL8384991 0.67 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7274780 0.66 ITGB3 (0.54) 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 disclosed
CN-1069730-A 2-Piperazinone compounds and their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-03-10 CN disclosed