SCHEMBL7314042

SCHEMBL7314042

COC(=O)C(CCCCC(=O)O)(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 19/20 0.46
KCNH2 Q12809 6/20 0.46
KCNN4 O15554 1/20 0.45
CACNA1C Q13936 2/20 0.43

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
SCHEMBL7304839 0.83 CACNA1G (0.44) CACNA1GKCNH2KCNN4CACNA1C
SCHEMBL4963270 0.79 KCNN4 (0.53) CACNA1GKCNH2KCNN4CACNA1C
SCHEMBL888286 0.78 KCNN4 (0.51) CACNA1GKCNH2KCNN4CACNA1C
SCHEMBL7307231 0.75 CYP2C19 (0.38) KCNN4
SCHEMBL7313602 0.73 KCNH2 (0.37) KCNH2KCNN4
SCHEMBL1886552 0.72 CACNA1G (0.58) CACNA1GKCNH2CACNA1C
SCHEMBL7308792 0.72 CYP2C19 (0.38)
SCHEMBL9449505 0.71 HDAC3 (0.45) KCNN4
SCHEMBL9449951 0.71 HDAC3 (0.45) KCNN4
SCHEMBL17267375 0.71 CYP2C19 (0.48)

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed