SCHEMBL28871332

SCHEMBL28871332

COc1ccc2c(n1)CCC(C1OCCO1)C2

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.51
▸ DRD3 P35462 2/20 0.51
▸ PDE10A Q9Y233 3/20 0.34
▸ HTR2C P28335 4/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR1F P30939 1/20 0.32
▸ TXNRD1 Q16881 2/20 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
SCHEMBL12891741 0.76 DRD2 (0.58) DRD2DRD3PDE10AHTR2CDRD1
SCHEMBL12891740 0.76 DRD2 (0.58) DRD2DRD3PDE10AHTR2CDRD1
SCHEMBL12993416 0.75 DRD2 (0.57) DRD2DRD3HTR2CHTR2AHTR2B
SCHEMBL28520383 0.72 DRD2 (0.58) DRD2DRD3PDE10AHTR2CDRD1
SCHEMBL4181488 0.67 NPC1 (0.47) DRD2DRD3HTR2CDRD1HTR2A
SCHEMBL4170720 0.67 DRD2 (0.47) DRD2DRD3HTR2CDRD1HTR2A
SCHEMBL7899159 0.66 DRD2 (0.41) DRD2DRD3HTR2CDRD1HTR2A
SCHEMBL28935814 0.64 DRD2 (0.45) DRD2DRD3PDE10AHTR2CHTR2A
SCHEMBL30207715 0.64 DRD2 (0.45) DRD2DRD3PDE10AHTR2CHTR2A
SCHEMBL29730608 0.63 DRD2 (0.43) DRD2DRD3HTR2CDRD1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
Send feedback