SCHEMBL7306630

SCHEMBL7306630

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(C2CCCCC2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CACNA1B Q00975 3/20 0.33
CHRM3 P20309 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
SCHEMBL7301232 0.93 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7311646 0.92 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7319367 0.92 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7310847 0.92 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7310446 0.84 EBP (0.36) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL8083545 0.84 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7308385 0.84 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7309070 0.84 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7316565 0.82 EBP (0.37) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7306036 0.82 EBP (0.41) EBPSIGMAR1CACNA1BCHRM3

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