SCHEMBL6824544

SCHEMBL6824544

C/C(=C1\Oc2cccc(OC(C)CCC(C)N3CCC(NC(=O)c4ccc(Cl)c(Cl)c4)CC3)c2C1=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
ACHE P22303 1/20 0.38
UTS2R Q9UKP6 12/20 0.36
PTK2 Q05397 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR5 P35346 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC2A1 P11166 1/20 0.34
DRD4 P21917 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
SCHEMBL6824418 0.94 HTR7 (0.40) HTR7ACHEUTS2RPTK2MEN1
SCHEMBL6820544 0.85 UTS2R (0.38) HTR7ACHEUTS2RPTK2MEN1
SCHEMBL6824127 0.83 HTR7 (0.45) HTR7ACHEUTS2RPTK2SSTR5
SCHEMBL6824129 0.83 HTR7 (0.43) HTR7UTS2RMEN1KMT2ADRD4
SCHEMBL6826209 0.83 PTK2 (0.46) HTR7ACHEUTS2RPTK2MEN1
SCHEMBL6823392 0.81 HTR7 (0.49) HTR7ACHEUTS2RDRD4
SCHEMBL6824422 0.76 HTR7 (0.42) HTR7UTS2RSSTR5KCNH2DRD4
SCHEMBL6381981 0.74 HTR7 (0.49) HTR7UTS2RSSTR5KCNH2DRD4
SCHEMBL6824321 0.74 HTR7 (0.46) HTR7ACHEUTS2RSSTR5KCNH2
SCHEMBL6919727 0.74 HTR7 (0.46) HTR7ACHEUTS2RSSTR5KCNH2

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