SCHEMBL7310937

SCHEMBL7310937

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2cc(Cl)ccc2Cl)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.33
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL7304455 0.94 EBP (0.33) CACNA1BEBPSIGMAR1
SCHEMBL7319052 0.92 EBP (0.35) CACNA1BEBPSIGMAR1
SCHEMBL7312779 0.91 EBP (0.32) CACNA1BEBPSIGMAR1
SCHEMBL7315131 0.89 EBP (0.36) CACNA1BEBPSIGMAR1
SCHEMBL7309172 0.89 EBP (0.35) CACNA1BEBPSIGMAR1
SCHEMBL7317234 0.89 EBP (0.37) CACNA1BEBPSIGMAR1
SCHEMBL7309121 0.89 EBP (0.33) CACNA1BEBPSIGMAR1
SCHEMBL7308400 0.88 EBP (0.32) CACNA1BEBPSIGMAR1
SCHEMBL7315116 0.87 EBP (0.36) CACNA1BEBPSIGMAR1
SCHEMBL7307317 0.87 EBP (0.35) 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