SCHEMBL7301361

SCHEMBL7301361

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(CCc2ccccc2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.45
SIGMAR1 Q99720 3/20 0.45
CACNA1B Q00975 3/20 0.33
KCNH2 Q12809 2/20 0.31
ABCB1 P08183 3/20 0.30
CHRM2 P08172 2/20 0.30
CHRM3 P20309 2/20 0.30
CYP3A4 P08684 2/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CACNA1F O60840 1/20 0.30
LMNA P02545 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30
DRD3 P35462 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
SCHEMBL7305480 0.96 EBP (0.44) EBPSIGMAR1CACNA1BABCB1CHRM2
SCHEMBL7309523 0.95 EBP (0.43) EBPSIGMAR1CACNA1BCHRM2CHRM3
SCHEMBL7306036 0.92 EBP (0.41) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7316069 0.92 EBP (0.38) EBPSIGMAR1CHRM3SLC6A4
SCHEMBL7310779 0.91 SIGMAR1 (0.38) EBPSIGMAR1CACNA1BLMNAHTR2A
SCHEMBL7311070 0.91 CACNA1B (0.38) EBPSIGMAR1CACNA1BKCNH2ABCB1
SCHEMBL7316565 0.90 EBP (0.37) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL7308551 0.90 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7315116 0.89 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7307454 0.89 EBP (0.35) EBPSIGMAR1CACNA1BCHRM2CHRM3

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