SCHEMBL7305480

SCHEMBL7305480

CC(C)[C@@](C#N)(CCCCC(=O)[N@+]1(CCCc2ccccc2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
CHRM3 P20309 7/20 0.33
CHRM2 P08172 6/20 0.33
CACNA1B Q00975 1/20 0.33
EPHX1 P07099 1/20 0.31
EPHX2 P34913 2/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
LTB4R Q15722 1/20 0.30
ABCB1 P08183 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
SCHEMBL7309523 0.97 EBP (0.43) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7301361 0.96 EBP (0.45) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7306036 0.91 EBP (0.41) EBPSIGMAR1CHRM3CACNA1B
SCHEMBL7316565 0.91 EBP (0.37) EBPSIGMAR1CHRM3CACNA1B
SCHEMBL7308551 0.90 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7316069 0.88 EBP (0.38) EBPSIGMAR1CHRM3EPHX1GRM2
SCHEMBL7310779 0.88 SIGMAR1 (0.38) EBPSIGMAR1CACNA1BEPHX1
SCHEMBL7315116 0.87 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7311070 0.87 CACNA1B (0.38) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7302652 0.87 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