SCHEMBL30997262

SCHEMBL30997262

c1cnc2cc(OCCCN3CCCC3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.61
DRD3 P35462 3/20 0.61
HRH1 P35367 2/20 0.54
TLR9 Q9NR96 2/20 0.53
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TLR7 Q9NYK1 1/20 0.52

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
SCHEMBL19689597 0.88 DRD3 (0.58) HRH3DRD3HRH1
SCHEMBL6652253 0.88 DRD3 (0.58) HRH3DRD3HRH1KDM4E
SCHEMBL9825515 0.87 DRD3 (0.66) HRH3DRD3HRH1
SCHEMBL9826117 0.85 DRD3 (0.76) HRH3DRD3HRH1
SCHEMBL29464187 0.85 DRD3 (0.62) HRH3DRD3HRH1
SCHEMBL29464188 0.85 DRD3 (0.62) HRH3DRD3HRH1
SCHEMBL9825963 0.84 SLC6A4 (0.73) HRH3DRD3HRH1
Hydrochloric Acid SCHEMBL9826980 0.83 SLC6A4 (0.71) HRH3DRD3HRH1
SCHEMBL10808025 0.83 HRH3 (0.59) HRH3TLR9TLR7
SCHEMBL10809994 0.83 HRH3 (0.64) HRH3DRD3HRH1TLR9

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-118221577-A 2-Phenoxyquinoline derivative, and preparation method and application thereof 湖南中医药大学 2024-06-21 CN disclosed