SCHEMBL30930754

SCHEMBL30930754

COc1cc(-c2cc(CN3CCN(C)CC3)on2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.50
POLB P06746 1/20 0.48
DRD2 P14416 11/20 0.47
DRD4 P21917 11/20 0.47
DRD3 P35462 11/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
CYP2D6 P10635 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL29282830 1.00 SIRT6 (0.50) SIRT6POLBDRD2DRD4DRD3
SCHEMBL30930756 0.82 DRD2 (0.48) DRD2DRD4DRD3MAPTALDH1A1
SCHEMBL38657531 0.81 ALDH1A1 (0.60) SIRT6POLBMAPTALDH1A1L3MBTL1
SCHEMBL30930760 0.80 NOTUM (0.47) POLBDRD2DRD4DRD3MAPT
SCHEMBL29282823 0.80 POLB (0.43) POLBDRD2DRD4DRD3MAPT
SCHEMBL29282820 0.80 NOTUM (0.47) POLBDRD2DRD4DRD3MAPT
SCHEMBL30930737 0.79 SIRT6 (0.49) SIRT6POLBMAPTALDH1A1
SCHEMBL8576630 0.78 ALDH1A1 (0.66) POLBMAPTALDH1A1HTTL3MBTL1
SCHEMBL38657436 0.78 SIRT6 (0.50) SIRT6POLBMAPTALDH1A1HTT
SCHEMBL38657597 0.78 SIRT6 (0.50) SIRT6POLBMAPTALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036715-A 2, 4-Diarylaminopyrimidine derivative containing benzodithioryl, and pharmaceutical composition and application thereof 盐城工业职业技术学院 2026-05-15 CN disclosed
CN-118047779-B Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2025-02-11 CN disclosed
CN-118047779-A Dihydropteridinone derivatives containing benzobisheteroaryl and use thereof 沈阳药科大学 2024-05-17 CN disclosed