SCHEMBL27598640

SCHEMBL27598640

CCC(C)C(C)C(CN)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.42
CACNB3 P54284 1/20 0.42
CACNA1C Q13936 1/20 0.42
PGR P06401 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.42
GABRR1 P24046 2/20 0.40
LMNA P02545 1/20 0.40
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
ENPEP Q07075 3/20 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
SCHEMBL1814418 1.00 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13679378 0.88 CACNA2D1 (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1816087 0.85 CACNA2D1 (0.40) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1817040 0.82 GPR84 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL13679358 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL3830765 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913913 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8348935 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1913725 0.81 CACNA2D1 (0.47) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1914043 0.81 CACNA2D1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1635887-A Combinations of an alpha-2-delta ligand with a selective inhibitor of cyclooxygenase-2 WARNER LAMBERT CO (US) 2005-07-06 CN disclosed