SCHEMBL26017449

SCHEMBL26017449

CN1CCc2[nH]c3ncc(O)cc3c2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD1 P21728 8/20 0.44
DRD5 P21918 8/20 0.44
DRD3 P35462 8/20 0.44
CHEK1 O14757 1/20 0.37
KDM4E B2RXH2 2/20 0.35
CHRNA7 P36544 1/20 0.35
DRD4 P21917 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
GMNN O75496 1/20 0.35
CYP3A4 P08684 1/20 0.35
ADRA1D P25100 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL26017356 0.83 HTR6 (0.36) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL24101581 0.83 KDM4E (0.38) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL30340105 0.83 KDM4E (0.38) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL26017354 0.83 CHEK1 (0.37) DRD2DRD1DRD5DRD3CHEK1
SCHEMBL26017341 0.81 USP2 (0.48) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL26017450 0.78 PRKCB (0.37) DRD2DRD1DRD5DRD3CHEK1
SCHEMBL3715595 0.74 L3MBTL1 (0.57) DRD2DRD3KDM4ECHRNA7CYP1A2
SCHEMBL24101593 0.74 KDM4E (0.47) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL30063679 0.74 KDM4E (0.47) DRD2DRD1DRD5DRD3KDM4E
SCHEMBL12480316 0.73 CHRNA7 (0.50) KDM4ECHRNA7CYP1A2CYP2D6CYP2C9

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
WO-2023122135-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME KULEON LLC (US) 2023-06-29 WO disclosed