SCHEMBL29461540

SCHEMBL29461540

CC(C)(C)OC(=O)N1CCCN(c2ccccn2)CCC1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.76
▸ CKS1B P61024 2/20 0.60
▸ SKP1 P63208 2/20 0.60
▸ SKP2 Q13309 2/20 0.60
▸ CYP2D6 P10635 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ GRM5 P41594 1/20 0.51
▸ GRM1 Q13255 1/20 0.51

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
SCHEMBL29461612 0.97 GPR119 (0.72) GPR119CKS1BSKP1SKP2CYP2D6
SCHEMBL4823523 0.97 GPR119 (0.72) GPR119CKS1BSKP1SKP2CYP2D6
SCHEMBL1459701 0.92 GPR119 (0.79) GPR119CKS1BSKP1SKP2CYP2D6
SCHEMBL30516861 0.92 GPR119 (0.79) GPR119CKS1BSKP1SKP2CYP2D6
SCHEMBL3487749 0.86 GPR119 (1.00) GPR119
SCHEMBL29461577 0.86 HSD17B10 (0.76) GPR119CYP2D6HSD17B10TSHRCYP2C19
SCHEMBL29461735 0.83 HSD17B10 (0.76) GPR119CYP2D6HSD17B10TSHRCYP2C19
SCHEMBL29461422 0.83 GPR119 (0.66) GPR119CYP2D6HSD17B10TSHRCYP2C19
SCHEMBL24290941 0.82 GPR119 (0.65) GPR119CKS1BSKP1SKP2POLB
SCHEMBL22941868 0.82 HSD17B10 (0.69) GPR119CYP2D6HSD17B10TSHRCYP2C19

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
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