SCHEMBL22792199

SCHEMBL22792199

CC(C)(C)OC(=O)N1CCN(c2cccc(CS)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PDK2 Q15119 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NAMPT P43490 1/20 0.47
ABCB1 P08183 1/20 0.47
ACHE P22303 1/20 0.47
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 2/20 0.45

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
SCHEMBL671029 0.89 GPR119 (0.57) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL7334881 0.89 GPR119 (0.57) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL6011698 0.88 GPR119 (0.56) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL31709335 0.88 GPR119 (0.56) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL3107402 0.88 GPR119 (0.56) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL689414 0.88 GPR119 (0.56) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL23643941 0.86 GPR119 (0.55) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL5683294 0.86 GPR119 (0.55) GPR119MAPTLMNAALDH1A1PDK2
Bromide SCHEMBL30583578 0.86 GPR119 (0.55) GPR119MAPTLMNAALDH1A1PDK2
SCHEMBL23643942 0.85 GPR119 (0.54) GPR119MAPTLMNAALDH1A1PDK2

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
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed