SCHEMBL6880241

SCHEMBL6880241

CCCOC(C)CC(CN)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.58
CACNB3 P54284 1/20 0.58
CACNA1C Q13936 1/20 0.58
PGR P06401 1/20 0.58
ADRA1A P35348 1/20 0.58
HTR2B P41595 1/20 0.58
CACNA2D2 Q9NY47 1/20 0.58
GABRR1 P24046 2/20 0.34
LMNA P02545 1/20 0.34
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL1913511 1.00 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913730 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6056273 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7417256 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7417249 0.87 CACNA2D1 (0.58) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913666 0.86 CACNA2D1 (0.61) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6902320 0.86 CACNA2D1 (0.61) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6885686 0.81 CACNA2D1 (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913881 0.81 CACNA2D1 (0.51) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913763 0.81 CACNA2D1 (0.59) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117045653-A Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-11-14 CN disclosed
CN-111135171-B Diseases and treatments associated with toxic aldehydes 奥尔德拉医疗公司 2023-09-08 CN disclosed
EP-1480639-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2004-12-01 EP disclosed
EP-1469841-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY (US) 2004-10-27 EP disclosed
WO-2003070237-A1 COMBINATIONS OF AN ALPHA-2-DELTA LIGAND WITH A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2003-08-28 WO disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed