SCHEMBL7308619

SCHEMBL7308619

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2ccc3c(c2)OCO3)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
ACHE P22303 1/20 0.35
EBP Q15125 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2J2 P51589 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
USP2 O75604 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
SCHEMBL7306036 0.88 EBP (0.41) CHRM3EBPSIGMAR1CACNA1B
SCHEMBL7308644 0.88 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7317926 0.87 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7309172 0.87 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL8082767 0.87 CHRM3 (0.38) CHRM3ACHEEBPSIGMAR1SIRT2
SCHEMBL7302652 0.87 EBP (0.37) EBPSIGMAR1CACNA1B
SCHEMBL7316806 0.86 EBP (0.37) CHRM3EBPSIGMAR1POLBCACNA1B
SCHEMBL7305376 0.86 EBP (0.37) CHRM3EBPSIGMAR1CACNA1B
SCHEMBL7309476 0.86 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7315131 0.86 EBP (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed