SCHEMBL7304227

SCHEMBL7304227

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2cc(F)ccc2F)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.33
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
DPP4 P27487 5/20 0.32
DPP9 Q86TI2 5/20 0.32
DPP7 Q9UHL4 4/20 0.32
DPP8 Q6V1X1 2/20 0.31
ABCB1 P08183 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
SCHEMBL7310043 0.94 EBP (0.33) CACNA1BEBPSIGMAR1
SCHEMBL7313956 0.93 CACNA1B (0.32) CACNA1BEBPSIGMAR1
SCHEMBL7304766 0.92 EBP (0.35) CACNA1BEBPSIGMAR1DPP4DPP9
SCHEMBL7308400 0.91 EBP (0.32) CACNA1BEBPSIGMAR1
SCHEMBL7307207 0.90 SLC6A4 (0.36) CACNA1BEBPSIGMAR1
SCHEMBL7312779 0.90 EBP (0.32) CACNA1BEBPSIGMAR1
SCHEMBL7309476 0.89 EBP (0.36) CACNA1BEBPSIGMAR1
SCHEMBL7310134 0.89 EBP (0.37) CACNA1BEBPSIGMAR1DPP4DPP9
SCHEMBL7317926 0.89 EBP (0.35) CACNA1BEBPSIGMAR1
SCHEMBL7307707 0.88 EBP (0.36) CACNA1BEBPSIGMAR1

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