SCHEMBL6919727

SCHEMBL6919727

CC(=C1Oc2cccc(OCCCCN3CCC(NC(=O)c4ccc(Cl)c(S(N)(=O)=O)c4)CC3)c2C1=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.46
HTR1A P08908 3/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
CNR2 P34972 1/20 0.40
SSTR5 P35346 1/20 0.39
KCNH2 Q12809 1/20 0.39
UTS2R Q9UKP6 4/20 0.39
ACHE P22303 1/20 0.39
CCR5 P51681 1/20 0.38
DRD4 P21917 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38
HTR4 Q13639 1/20 0.38

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
SCHEMBL6824321 1.00 HTR7 (0.46) HTR7HTR1ADRD2HTR2ACNR2
SCHEMBL6826272 0.93 HTR7 (0.47) HTR7HTR1ADRD2HTR2ACNR2
SCHEMBL6378452 0.92 HTR7 (0.46) HTR7HTR1ADRD2HTR2ACNR2
SCHEMBL6823392 0.92 HTR7 (0.49) HTR7HTR1ADRD2HTR2AUTS2R
SCHEMBL6820568 0.88 HTR7 (0.55) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL6823760 0.88 HTR7 (0.45) HTR7HTR1ADRD2HTR2ADRD4
SCHEMBL7348639 0.88 HTR7 (0.44) HTR7HTR1ACNR2SSTR5KCNH2
SCHEMBL6381981 0.85 HTR7 (0.49) HTR7HTR1ADRD2HTR2ASSTR5
SCHEMBL6824327 0.84 HTR7 (0.42) HTR7HTR1ADRD2HTR2ACNR2
SCHEMBL6824547 0.84 HTR7 (0.42) HTR7HTR1ADRD2HTR2ACNR2

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