SCHEMBL7316183

SCHEMBL7316183

CC(C)C(C#N)(CCC=CC(=O)[N@@+]1([C@H](C)c2ccccc2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
ABCB1 P08183 1/20 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
SCHEMBL7309070 0.83 EBP (0.39) EBPSIGMAR1ABCB1
SCHEMBL8083545 0.78 EBP (0.39) EBPSIGMAR1ABCB1
SCHEMBL7308385 0.78 EBP (0.39) EBPSIGMAR1ABCB1
SCHEMBL7310617 0.76 EBP (0.38) EBPSIGMAR1
SCHEMBL7306127 0.76 EBP (0.38) EBPSIGMAR1ABCB1
SCHEMBL7315987 0.76 EBP (0.38) EBPSIGMAR1
SCHEMBL7307833 0.72 EBP (0.45) EBPSIGMAR1ABCB1
SCHEMBL7316695 0.71 EBP (0.36) EBPSIGMAR1
SCHEMBL7306630 0.71 EBP (0.39) EBPSIGMAR1
SCHEMBL7306036 0.69 EBP (0.41) EBPSIGMAR1

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