SCHEMBL6823916

SCHEMBL6823916

CC1CC(NC(=O)c2ccc(Cl)c(Cl)c2)CC(C)N1CCCCOc1cccc2c1C(=O)C(=C(C1CC1)C1CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
UTS2R Q9UKP6 8/20 0.37
HTR1A P08908 2/20 0.35
PTK2 Q05397 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34

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
SCHEMBL6820545 0.87 HTR7 (0.50) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6824089 0.85 HTR7 (0.41) HTR7UTS2R
SCHEMBL6823392 0.81 HTR7 (0.49) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6381981 0.80 HTR7 (0.49) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6826272 0.79 HTR7 (0.47) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6823876 0.79 HTR7 (0.46) HTR7DRD2HTR2AHTR1A
SCHEMBL6824741 0.79 HTR7 (0.47) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6820574 0.78 HTR7 (0.47) HTR7DRD2HTR2AUTS2RHTR1A
SCHEMBL6826179 0.77 HTR1A (0.44) HTR7HTR1A
SCHEMBL6820561 0.77 UTS2R (0.45) HTR7DRD2UTS2RHTR1A

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
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO claimed
WO-2004076444-A2 NOVEL HYDROXYCOUMARANONE DERIVATIVES AS ANTITUMOR AND ANTIMETASTATIC F. HOFFMANN-LA ROCHE AG (CH) 2004-09-10 WO disclosed