SCHEMBL7304839

SCHEMBL7304839

C=CCCCCC(C(=O)OC)(c1ccccc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 17/20 0.44
KCNH2 Q12809 5/20 0.44
KCNN4 O15554 1/20 0.42
MAPT P10636 1/20 0.41
CACNA1C Q13936 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7314042 0.83 CACNA1G (0.46) CACNA1GKCNH2KCNN4CACNA1C
SCHEMBL4963270 0.76 KCNN4 (0.53) CACNA1GKCNH2KCNN4MAPTCACNA1C
SCHEMBL7309814 0.75 ALDH1A1 (0.38) KCNH2MAPTALDH1A1
SCHEMBL888286 0.75 KCNN4 (0.51) CACNA1GKCNH2KCNN4CACNA1CALDH1A1
SCHEMBL7316634 0.74 ALDH1A1 (0.39) ALDH1A1
SCHEMBL7314258 0.72 CHRM2 (0.37) MAPTALDH1A1GAA
SCHEMBL7317285 0.70 CHRM3 (0.33) ALDH1A1
SCHEMBL3999764 0.70 ALDH1A1 (0.67) KCNN4MAPTALDH1A1GAA
SCHEMBL7308732 0.70 CHRM3 (0.32) KCNH2
SCHEMBL1886552 0.69 CACNA1G (0.58) CACNA1GKCNH2CACNA1CALDH1A1

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