SCHEMBL29461529

SCHEMBL29461529

CC(C)(C)OC(=O)N1CCN(c2ccccn2)C2(CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.56
GRM5 P41594 2/20 0.47
GRM1 Q13255 1/20 0.47
HSD17B10 Q99714 7/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP2D6 P10635 4/20 0.46
CYP3A4 P08684 3/20 0.46
POLB P06746 1/20 0.46
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
CYP11B2 P19099 1/20 0.45
TSHR P16473 5/20 0.45
HPGD P15428 4/20 0.45
CYP2C19 P33261 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
USP2 O75604 1/20 0.44
HIF1A Q16665 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL20129625 0.87 GPR119 (0.57) GPR119GRM5GRM1HSD17B10ALDH1A1
SCHEMBL745368 0.82 GPR119 (0.51) GPR119GRM5GRM1CKS1BSKP1
SCHEMBL38664577 0.80 CYP11B2 (0.45) GPR119GRM1ALDH1A1CYP2D6CYP3A4
SCHEMBL484915 0.79 HSD17B10 (0.65) GPR119GRM1HSD17B10ALDH1A1CYP2D6
SCHEMBL30516861 0.79 GPR119 (0.79) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL1459701 0.79 GPR119 (0.79) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL29461446 0.78 HSD17B10 (0.69) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL23108171 0.78 GPR119 (0.52) GPR119GRM5HSD17B10ALDH1A1CYP3A4
SCHEMBL29461422 0.78 GPR119 (0.66) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4
SCHEMBL29461735 0.78 HSD17B10 (0.76) GPR119HSD17B10ALDH1A1CYP2D6CYP3A4

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-114230569-A Thiohydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-03-25 CN disclosed