SCHEMBL28520383

SCHEMBL28520383

COc1ccc2c(n1)CCC(C=O)C2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ HTR2C P28335 5/20 0.36
▸ MTNR1A P48039 5/20 0.36
▸ MTNR1B P49286 5/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ TXNRD1 Q16881 2/20 0.33
▸ DDB1 Q16531 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR1F P30939 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL12891740 0.80 DRD2 (0.58) DRD2DRD3HTR2CMTNR1AMTNR1B
SCHEMBL12891741 0.80 DRD2 (0.58) DRD2DRD3HTR2CMTNR1AMTNR1B
SCHEMBL12993416 0.78 DRD2 (0.57) DRD2DRD3HTR2CHTR2AHTR2B
SCHEMBL28447625 0.75 DRD2 (0.41) DRD2DRD3HTR2CMTNR1AMTNR1B
SCHEMBL28871332 0.72 DRD2 (0.51) DRD2DRD3HTR2CMTNR1AMTNR1B
SCHEMBL25521579 0.70 DRD2 (0.33) DRD2DRD3
SCHEMBL4181488 0.70 NPC1 (0.47) DRD2DRD3HTR2CMTNR1AMTNR1B
SCHEMBL4170720 0.70 DRD2 (0.47) DRD2DRD3HTR2CHTR2AHTR2B
SCHEMBL19281913 0.69 DRD2 (0.62) DRD2DRD3MTNR1AMTNR1B
SCHEMBL4597831 0.68 DRD2 (0.52) DRD2DRD3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232138-A Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2022-10-25 — — CN claimed
CN-107652230-B Synthesis method of 2-methoxy-7, 8-dihydroquinoline-6 (5H) -ketone 上海亚兴生物医药科技有限公司 2021-01-05 — — CN claimed
CN-115232138-B Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2024-01-30 — — CN disclosed
CN-115232138-A Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2022-10-25 — — CN disclosed
CN-115232138-A Huperzine A intermediate and nontoxic synthesis process of raw materials thereof 杭州师范大学 2022-10-25 — — CN disclosed
CN-107652230-B Synthesis method of 2-methoxy-7, 8-dihydroquinoline-6 (5H) -ketone 上海亚兴生物医药科技有限公司 2021-01-05 — — CN disclosed
CN-107652230-B Synthesis method of 2-methoxy-7, 8-dihydroquinoline-6 (5H) -ketone 上海亚兴生物医药科技有限公司 2021-01-05 — — CN disclosed
CN-107652230-B Synthesis method of 2-methoxy-7, 8-dihydroquinoline-6 (5H) -ketone 上海亚兴生物医药科技有限公司 2021-01-05 — — CN disclosed
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