SCHEMBL7302555

SCHEMBL7302555

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2c(F)cccc2Cl)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1B Q00975 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
SCHEMBL7311990 0.92 EBP (0.33) EBPSIGMAR1L3MBTL1CACNA1B
SCHEMBL7304766 0.88 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7319052 0.88 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7309121 0.88 EBP (0.33) EBPSIGMAR1CACNA1B
SCHEMBL7304263 0.87 EBP (0.34) EBPSIGMAR1CACNA1B
SCHEMBL7312779 0.87 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7318071 0.86 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7308400 0.86 EBP (0.32) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.86 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL7310043 0.86 EBP (0.33) 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 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