SCHEMBL29173291

SCHEMBL29173291

O=C(O)COC1CN(C(F)C(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

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
SCHEMBL20179858 0.78 ITGB3 (0.35) PDK2ITGB3ITGA2B
SCHEMBL15641647 0.70 NPC1 (0.52)
SCHEMBL26209238 0.69 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL26730038 0.69 ITGB3 (0.40) ITGB3ITGA2B
SCHEMBL29214260 0.69 MAPT (0.34)
SCHEMBL21384269 0.68 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL1723072 0.68 PDK2 (0.34) PDK2ITGB3ITGA2B
SCHEMBL1723069 0.68 ITGB3 (0.33) PDK2ITGB3ITGA2B
SCHEMBL8948689 0.68 CYP3A4 (0.35) PDK2ITGB3ITGA2B
SCHEMBL20722066 0.68 PDK2 (0.38) PDK2ITGB3ITGA2B

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
CN-118239937-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-118239938-A Compounds, compositions, and methods 戴纳立制药公司 2024-06-25 CN disclosed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 CN disclosed