SCHEMBL28787334

SCHEMBL28787334

CCC(=O)N1CCCC(NC(=O)c2ccc(N)c(OC)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
HTR4 Q13639 3/20 0.49
MCHR1 Q99705 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GAK O14976 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL28787322 0.88 EPHX2 (0.53) HTR4MCHR1
SCHEMBL28787352 0.84 MAPKAPK2 (0.51) POLBHTR4USP30
SCHEMBL13846093 0.84 HTR4 (0.53) HTR4MCHR1DRD2DRD4DRD3
SCHEMBL13845987 0.84 HTR4 (0.53) HTR4MCHR1DRD2DRD4DRD3
SCHEMBL12426778 0.83 HTR4 (0.48) HTR4MCHR1DRD2DRD4DRD3
SCHEMBL12426777 0.83 HTR4 (0.48) HTR4MCHR1DRD2DRD4DRD3
SCHEMBL29531655 0.82 ALDH1A1 (0.64) MCHR1SMN1; SMN2USP30
SCHEMBL3548018 0.82 HTR4 (0.57) HTR4MCHR1DRD4
SCHEMBL3936747 0.82 HTR4 (0.57) HTR4MCHR1DRD4
SCHEMBL1927002 0.81 KMT2A (0.54) HTR4SMN1; SMN2

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-114478539-B Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2024-02-02 CN disclosed
CN-114478539-A Novel DCLK1 inhibitor and preparation method and application thereof 中国人民解放军海军军医大学 2022-05-13 CN disclosed