SCHEMBL6820545

SCHEMBL6820545

O=C(NC1CCN(CCCCOc2cccc3c2C(=O)C(=C(C2CC2)C2CC2)O3)CC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.50
HTR1A P08908 2/20 0.46
UTS2R Q9UKP6 7/20 0.46
DRD2 P14416 2/20 0.44
HTR2A P28223 2/20 0.44
DRD4 P21917 2/20 0.42
CCR5 P51681 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6823392 0.92 HTR7 (0.49) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6381981 0.92 HTR7 (0.49) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6823876 0.91 HTR7 (0.46) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL6826272 0.91 HTR7 (0.47) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6824741 0.89 HTR7 (0.47) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6820574 0.89 HTR7 (0.47) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6823916 0.87 HTR7 (0.42) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6823956 0.87 HTR7 (0.47) HTR7HTR1AUTS2RDRD2HTR2A
SCHEMBL6823226 0.85 UTS2R (0.48) HTR7HTR1AUTS2RDRD4MEN1
SCHEMBL7351045 0.85 HTR7 (0.47) HTR7HTR1AUTS2RMEN1KMT2A

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