SCHEMBL29587786

SCHEMBL29587786

C=C(C)CCN(CCC(=C)C)C1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.36
DRD2 P14416 4/20 0.36
DRD4 P21917 3/20 0.36
FYN P06241 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL2692205 0.75 DRD3 (0.53) DRD3DRD2DRD4FYN
Methyl Alcohol SCHEMBL27525303 0.72 DRD3 (0.38) DRD3DRD2DRD4FYN
SCHEMBL7323210 0.72 DRD3 (0.38) DRD3DRD2DRD4
SCHEMBL21047767 0.72 DRD3 (0.42) DRD3DRD2DRD4FYN
SCHEMBL21047617 0.70 ADH1C (0.42) DRD3DRD2DRD4
SCHEMBL21047685 0.69 ADH1C (0.44) DRD3DRD2DRD4
SCHEMBL21047583 0.69 ADH1C (0.44) DRD3DRD2DRD4
SCHEMBL21047776 0.69 ADH1C (0.44) DRD3DRD2DRD4
SCHEMBL21047577 0.69 ADH1C (0.44) DRD3DRD2DRD4
SCHEMBL21047633 0.69 GAA (0.31) DRD3DRD2DRD4

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-109563016-B Method for producing perfluoroalkyl compound using monohydroperfluoroalkane as starting material 关东电化工业株式会社 2022-05-13 CN disclosed