SCHEMBL6457611

SCHEMBL6457611

CC(C)=C1Oc2cccc(OCCCCN3CCC(NC(=O)c4ccc(C(F)(F)F)cc4)CC3)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 10/20 0.51
HTR7 P34969 3/20 0.47
HTR1A P08908 1/20 0.47
HTR2A P28223 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
EPHX2 P34913 1/20 0.42
DRD4 P21917 2/20 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
SCHEMBL6462598 0.92 HTR7 (0.54) SLC6A5HTR7HTR1AHTR2ADRD2
SCHEMBL6458101 0.92 HTR7 (0.54) SLC6A5HTR7HTR1AHTR2ADRD2
SCHEMBL6466592 0.91 HTR7 (0.55) SLC6A5HTR7HTR1AHTR2ADRD2
SCHEMBL6462987 0.90 HTR7 (0.47) HTR7HTR1A
SCHEMBL6457124 0.89 ADRA1D (0.50) HTR7HTR1AHTR2ADRD2DRD3
SCHEMBL6461236 0.89 HTR7 (0.46) SLC6A5HTR7HTR1ADRD4
SCHEMBL6463130 0.88 POLB (0.51) SLC6A5HTR7HTR1AHTR2ADRD3
SCHEMBL6457221 0.87 HTR7 (0.55) HTR7HTR1AHTR2ADRD2DRD3
SCHEMBL7346972 0.87 SLC6A5 (0.60) SLC6A5HTR2ADRD2DRD4
SCHEMBL7345537 0.87 SLC6A5 (0.44) SLC6A5HTR7HTR1AHTR2ADRD2

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
EP-1012147-B1 O-SUBSTITUTED HYDROXYCUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC AGENTS HOFFMANN LA ROCHE (CH) 2005-11-02 EP disclosed