SCHEMBL7307833

SCHEMBL7307833

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(C(C)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 1/20 0.32
KMT2A Q03164 3/20 0.32
CHRM3 P20309 1/20 0.32
CYP3A4 P08684 4/20 0.31
ABCB1 P08183 4/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 2/20 0.31
CACNA1F O60840 2/20 0.31
LMNA P02545 2/20 0.31
HTR1A P08908 2/20 0.31
ADRA2A P08913 2/20 0.31
DRD2 P14416 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
DRD3 P35462 2/20 0.31
SCN1A P35498 2/20 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 0.86 EBP (0.39) EBPSIGMAR1CACNA1BABCB1
SCHEMBL7308385 0.86 EBP (0.39) EBPSIGMAR1CACNA1BKMT2ACYP3A4
SCHEMBL8083545 0.86 EBP (0.39) EBPSIGMAR1CACNA1BKMT2ACYP3A4
SCHEMBL7301361 0.86 EBP (0.45) EBPSIGMAR1CACNA1BCHRM3CYP3A4
SCHEMBL7305480 0.85 EBP (0.44) EBPSIGMAR1CACNA1BCHRM3ABCB1
SCHEMBL7309523 0.84 EBP (0.43) EBPSIGMAR1CACNA1BCHRM3CHRM2
SCHEMBL7308431 0.83 EBP (0.38) EBPSIGMAR1CACNA1B
SCHEMBL7306036 0.83 EBP (0.41) EBPSIGMAR1CACNA1BCHRM3
SCHEMBL8082767 0.83 CHRM3 (0.38) EBPSIGMAR1KMT2ACHRM3TSHR
SCHEMBL7308551 0.81 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