SCHEMBL28836262

SCHEMBL28836262

O=C1c2ccc(-c3ccccc3)cc2CCCN1CCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.65
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.47

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
SCHEMBL28836299 0.92 HRH3 (0.71) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL29783123 0.92 HRH3 (0.71) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL28836214 0.84 DRD3 (0.51) HRH3DRD2DRD4DRD3
SCHEMBL8161846 0.79 HRH3 (0.67) HRH3DRD2DRD4DRD3
SCHEMBL3646548 0.79 HRH3 (1.00) HRH3KCNH2
SCHEMBL8154261 0.79 HRH3 (0.95) HRH3KCNH2
SCHEMBL8548891 0.78 PRMT5 (0.53) HRH3DRD2DRD4DRD3
SCHEMBL8159331 0.78 HRH3 (0.73) HRH3DRD2DRD4DRD3KCNH2
SCHEMBL582220 0.77 GRM5 (0.51) HRH3
SCHEMBL29783006 0.77 TNIK (0.55) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114989085-B Aryl lactam ring compound, pharmaceutical composition and application thereof 安徽医科大学 2023-11-24 CN disclosed
CN-114989085-A Aryl lactam ring compound, pharmaceutical composition and application thereof 安徽医科大学 2022-09-02 CN disclosed