SCHEMBL7304263

SCHEMBL7304263

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccc(F)c(Cl)c2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
CACNA1B Q00975 1/20 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
SCHEMBL7309172 0.93 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7317926 0.93 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7305200 0.92 EBP (0.34) EBPSIGMAR1CACNA1B
SCHEMBL7315131 0.91 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7317234 0.90 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7309476 0.89 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7310134 0.89 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7307707 0.89 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.88 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7312779 0.88 EBP (0.32) EBPSIGMAR1CACNA1B

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
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed