SCHEMBL31339129

SCHEMBL31339129

CC(C)(C)OC(=O)N1CCCC(c2cccnc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.56
HPGDS O60760 1/20 0.51
HSD11B1 P28845 1/20 0.47
PRMT5 O14744 2/20 0.47
WDR77 Q9BQA1 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CHRNA7 P36544 2/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNA2 Q15822 2/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
PSIP1 O75475 1/20 0.47
TRPA1 O75762 1/20 0.47
HTR3B O95264 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47

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
SCHEMBL25274630 1.00 GPR119 (0.56) GPR119HPGDSHSD11B1PRMT5WDR77
SCHEMBL30417389 0.94 GPR119 (0.60) GPR119HPGDSHSD11B1LMNAMAPT
SCHEMBL14497248 0.94 GPR119 (0.60) GPR119HPGDSHSD11B1LMNAMAPT
SCHEMBL4705282 0.90 GPR119 (0.52) GPR119HPGDSHSD11B1ALDH1A1CHRNA7
SCHEMBL30098458 0.89 GPR119 (0.55) GPR119HSD11B1ALDH1A1MAPTCYP11B2
SCHEMBL20757936 0.89 GPR119 (0.55) GPR119HSD11B1ALDH1A1MAPTCYP11B2
SCHEMBL3154994 0.86 GPR119 (0.65) GPR119HSD11B1MAPTKDM4E
SCHEMBL25343613 0.85 PDE4B (0.52) GPR119HPGDSHSD11B1PRMT5ALDH1A1
SCHEMBL26667052 0.85 PDE4B (0.52) GPR119HPGDSHSD11B1PRMT5ALDH1A1
SCHEMBL6359096 0.85 ALDH1A1 (0.56) GPR119HPGDSPRMT5ALDH1A1LMNA

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
CN-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 CN disclosed