SCHEMBL8082767

SCHEMBL8082767

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.38
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TSHR P16473 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL7308619 0.87 CHRM3 (0.35) CHRM3EBPSIGMAR1HPGDKDM4E
SCHEMBL7307833 0.83 EBP (0.45) CHRM3EBPSIGMAR1MEN1KMT2A
SCHEMBL7309070 0.81 EBP (0.39) EBPSIGMAR1
SCHEMBL7308385 0.81 EBP (0.39) EBPSIGMAR1MEN1KMT2AGAA
SCHEMBL8083545 0.81 EBP (0.39) EBPSIGMAR1MEN1KMT2AGAA
SCHEMBL7308431 0.79 EBP (0.38) EBPSIGMAR1
SCHEMBL7302652 0.77 EBP (0.37) EBPSIGMAR1
SCHEMBL7308644 0.76 EBP (0.35) EBPSIGMAR1
SCHEMBL7306036 0.76 EBP (0.41) CHRM3EBPSIGMAR1
SCHEMBL7306630 0.76 EBP (0.39) CHRM3EBPSIGMAR1

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed