SCHEMBL7308431

SCHEMBL7308431

CCOC(=O)[C@H](Cc1ccccc1)[N@@+]1(C(=O)CCCC[C@@](C#N)(c2ccccc2)C(C)C)CCCC1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CACNA1B Q00975 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCR1 P32246 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
SCHEMBL7307833 0.83 EBP (0.45) EBPSIGMAR1CACNA1B
SCHEMBL7309070 0.83 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7308385 0.83 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL8083545 0.83 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.80 EBP (0.41) EBPSIGMAR1CACNA1B
SCHEMBL8082767 0.79 CHRM3 (0.38) EBPSIGMAR1
SCHEMBL7301361 0.79 EBP (0.45) EBPSIGMAR1CACNA1B
SCHEMBL7305480 0.79 EBP (0.44) EBPSIGMAR1CACNA1B
SCHEMBL7306630 0.78 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7316565 0.78 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