SCHEMBL28812142

SCHEMBL28812142

CC(C)(C)OC(=O)N1CCC(c2cc(N)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
HTT P42858 1/20 0.48
NR1H2 P55055 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
WNT3A P56704 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 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
SCHEMBL16272071 0.86 GPR119 (0.53) GPR119KDM4EMAPTTHRBHTT
SCHEMBL28646427 0.86 GPR119 (0.51) GPR119KDM4EMAPTTHRBHTT
SCHEMBL28812661 0.86 GPR119 (0.54) GPR119KDM4EMAPTTHRBHTT
SCHEMBL1977326 0.85 GPR119 (0.50) GPR119KDM4EMAPTTHRBHTT
SCHEMBL21381792 0.85 HTT (0.51) GPR119KDM4EMAPTTHRBHTT
SCHEMBL14240401 0.85 GPR119 (0.50) GPR119KDM4EMAPTTHRBHTT
SCHEMBL29090670 0.83 GPR119 (0.48) GPR119KDM4EMAPTTHRBHTT
SCHEMBL5472808 0.83 GPR119 (0.48) GPR119KDM4EMAPTTHRBHTT
SCHEMBL28341565 0.83 GPR119 (0.51) GPR119KDM4EMAPTTHRBHTT
SCHEMBL15939961 0.83 GPR119 (0.50) GPR119KDM4EMAPTTHRBHTT

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-114867720-A Heteroaryl derivative and preparation method and application thereof 浙江海正药业股份有限公司 2022-08-05 CN disclosed