SCHEMBL7316565

SCHEMBL7316565

CCCC[N@@+]1(C(=O)CCCC[C@@](C#N)(c2ccccc2)C(C)C)CCCC1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CACNA1B Q00975 3/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CHRM3 P20309 3/20 0.31

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
SCHEMBL7305480 0.91 EBP (0.44) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7308551 0.91 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7309523 0.91 EBP (0.43) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7301361 0.90 EBP (0.45) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7306036 0.90 EBP (0.41) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7310446 0.88 EBP (0.36) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7316695 0.88 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7315116 0.87 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7307317 0.86 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7302652 0.86 EBP (0.37) 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