SCHEMBL17483552

SCHEMBL17483552

O=S(=O)(OC1=CC2CN(Cc3ccccc3)CC2C1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
BCHE P06276 4/20 0.37
ACHE P22303 4/20 0.37
BACE1 P56817 4/20 0.37
GRIN2B Q13224 2/20 0.37
FUCA1 P04066 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL20384121 0.80 BCHE (0.36) DRD2DRD3BCHEACHEBACE1
SCHEMBL17483519 0.79 GRIN2B (0.37) DRD2DRD3BCHEACHEBACE1
SCHEMBL20018590 0.75 FUCA1 (0.40) DRD2DRD3DRD1DRD4DRD5
SCHEMBL4625635 0.74 DRD2 (0.41) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6105797 0.74 RBP4 (0.33)
SCHEMBL28948610 0.74 FUCA1 (0.41) DRD2DRD3BCHEACHEBACE1
SCHEMBL760251 0.74 HTR2A (0.42) DRD2DRD3DRD1DRD4DRD5
SCHEMBL6105795 0.74 RBP4 (0.33)
SCHEMBL6105800 0.74 RBP4 (0.33)
SCHEMBL12371117 0.74 HTR2A (0.42) DRD2DRD3DRD1DRD4DRD5

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
EP-4081509-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Zydus Lifesciences Limited (IN) 2022-11-02 EP disclosed
CN-114901640-A Novel compounds useful for the treatment of dyslipidemia 兹杜斯生命科学有限公司 2022-08-12 CN disclosed
WO-2021130723-A1 NOVEL COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2021-07-01 WO disclosed
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 EP disclosed
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 WO disclosed